CAS 30979-60-3 | Benzamide, 4-nitro-N-tricyclo[3.3.1.13,7]dec-1-yl- | CAS Number 30979-60-3

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30979-60-3 | Benzamide, 4-nitro-N-tricyclo[3.3.1.13,7]dec-1-yl-

CAS No: 30979-60-3 Catalog No: AG0031TA MDL No:

Product Description

Catalog Number:

AG0031TA

Chemical Name:

Benzamide, 4-nitro-N-tricyclo[3.3.1.13,7]dec-1-yl-

CAS Number:

30979-60-3

Molecular Formula:

C17H20N2O3

Molecular Weight:

300.3523

IUPAC Name:

N-(1-adamantyl)-4-nitrobenzamide

InChI:

InChI=1S/C17H20N2O3/c20-16(14-1-3-15(4-2-14)19(21)22)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,20)

InChI Key:

WHDVTOHVLBQCAP-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)[N+](=O)[O-])NC12CC3CC(C2)CC(C1)C3

Properties

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.358g/mol

Monoisotopic Mass:

300.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Anticonvulsant phenytoinergic pharmacophores and anti-HIV activity--preliminary evidence for the dual requirement of the 4-aminophthalimide platform and the N-(1-adamantyl) substitution for antiviral properties.	Life sciences 19980101