(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide

C26H27N3O2 — CID 8967220

IUPAC(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O2/c1-18-10-11-19(2)23(17-18)28-26(31)25(20-7-4-3-5-8-20)27-21-12-14-22(15-13-21)29-16-6-9-24(29)30/h3-5,7-8,10-15,17,25,27H,6,9,16H2,1-2H3,(H,28,31)/t25-/m0/s1
InChIKeyCNWGLTOYRBRIDH-VWLOTQADSA-N
MW413.52 g/mol
LogP5.22
Rot. Bonds6

About (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide

(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide (PubChem CID 8967220) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
PubChem CID8967220
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C26H27N3O2/c1-18-10-11-19(2)23(17-18)28-26(31)25(20-7-4-3-5-8-20)27-21-12-14-22(15-13-21)29-16-6-9-24(29)30/h3-5,7-8,10-15,17,25,27H,6,9,16H2,1-2H3,(H,28,31)/t25-/m0/s1
InChIKeyCNWGLTOYRBRIDH-VWLOTQADSA-N
XLogP5.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
[2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 55321502
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylanilino)-2-phenylacetamide
CID 7928697
N-(2,5-dimethylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935087
N-(2,5-dimethylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36675659
1-[4-[[(1R)-1-(3-methylphenyl)ethyl]amino]phenyl]pyrrolidin-2-one
CID 100660181
1-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100747696
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
2-[4-(4-ethylpiperazin-1-yl)anilino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 17440812
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetate
CID 46659550

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide (CID 8967220) is (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide is Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide?
The InChIKey is CNWGLTOYRBRIDH-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-10-11-19(2)23(17-18)28-26(31)25(20-7-4-3-5-8-20)27-21-12-14-22(15-13-21)29-16-6-9-24(29)30/h3-5,7-8,10-15,17,25,27H,6,9,16H2,1-2H3,(H,28,31)/t25-/m0/s1.
What are the key properties of (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide?
(2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide has a molecular weight of 413.52 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-2-phenylacetamide is sourced from PubChem (CID 8967220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).