CAS 177158-19-9 | Tetradecanamide, 3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]- | CAS Number 177158-19-9

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177158-19-9 | Tetradecanamide, 3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-

CAS No: 177158-19-9 Catalog No: AG002547 MDL No:MFCD12912433

Product Description

Catalog Number:

AG002547

Chemical Name:

Tetradecanamide, 3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-

CAS Number:

177158-19-9

Molecular Formula:

C18H31NO4

Molecular Weight:

325.4430

MDL Number:

MFCD12912433

IUPAC Name:

3-oxo-N-[(3S)-2-oxooxolan-3-yl]tetradecanamide

InChI:

InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h16H,2-14H2,1H3,(H,19,21)/t16-/m0/s1

InChI Key:

YQFJJDSGBAAUPW-INIZCTEOSA-N

SMILES:

CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

Properties

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

325.449g/mol

Monoisotopic Mass:

325.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.2

Literature

Title	Journal
Medicinal chemistry as a conduit for the modulation of quorum sensing.	Journal of medicinal chemistry 20101111
Synthesis of Pseudomonas quorum-sensing autoinducer analogs and structural entities required for induction of apoptosis in macrophages.	Bioorganic & medicinal chemistry letters 20060415
Synthetic analogues of the bacterial signal (quorum sensing) molecule N-(3-oxododecanoyl)-L-homoserine lactone as immune modulators.	Journal of medicinal chemistry 20030102