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85603-20-9 | but-2-enedioic acid; N-(4-cyclopentylphenyl)-N-ethyl-2-(1-piperidyl)acetamide
CAS No: 85603-20-9 Catalog No: AG004QHF MDL No:
Product Description
Catalog Number:
AG004QHF
Chemical Name:
but-2-enedioic acid; N-(4-cyclopentylphenyl)-N-ethyl-2-(1-piperidyl)acetamide
CAS Number:
85603-20-9
Molecular Formula:
C24H34N2O5
Molecular Weight:
430.5372
IUPAC Name:
(E)-but-2-enedioic acid;N-(4-cyclopentylphenyl)-N-ethyl-2-piperidin-1-ylacetamide
InChI:
InChI=1S/C20H30N2O.C4H4O4/c1-2-22(20(23)16-21-14-6-3-7-15-21)19-12-10-18(11-13-19)17-8-4-5-9-17;5-3(6)1-2-4(7)8/h10-13,17H,2-9,14-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:
HVOUTEKBDWSIRW-WLHGVMLRSA-N
SMILES:
OC(=O)C=CC(=O)O.CCN(c1ccc(cc1)C1CCCC1)C(=O)CN1CCCCC1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
430.247g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
430.545g/mol
Monoisotopic Mass:
430.247g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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