(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide

C21H24N2O2 — CID 40624932

IUPAC(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-15(24)17-10-7-13-19(14-17)23-21(25)20(16-8-3-2-4-9-16)22-18-11-5-6-12-18/h2-4,7-10,13-14,18,20,22H,5-6,11-12H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyOWIGBOWNLMZDBC-FQEVSTJZSA-N
MW336.44 g/mol
LogP4.10
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide

(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide (PubChem CID 40624932) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide
PubChem CID40624932
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-15(24)17-10-7-13-19(14-17)23-21(25)20(16-8-3-2-4-9-16)22-18-11-5-6-12-18/h2-4,7-10,13-14,18,20,22H,5-6,11-12H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyOWIGBOWNLMZDBC-FQEVSTJZSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclohexylamino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 40632646
N-cyclohexyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 2239978
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469591
(2R)-N-(3-acetylphenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 2621450
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 8898640
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
(2R)-N-(3-acetylphenyl)-2-[2-(4-methylphenoxy)ethylamino]-2-phenylacetamide
CID 7833216
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
N-[2-oxo-1-phenyl-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]benzamide
CID 55599784

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide (CID 40624932) is (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide is CC(=O)c1cccc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide?
The InChIKey is OWIGBOWNLMZDBC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(24)17-10-7-13-19(14-17)23-21(25)20(16-8-3-2-4-9-16)22-18-11-5-6-12-18/h2-4,7-10,13-14,18,20,22H,5-6,11-12H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide?
(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide has a molecular weight of 336.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide is sourced from PubChem (CID 40624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).