N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C26H26N2O2 — CID 100639599

IUPACN-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1
InChIInChI=1S/C26H26N2O2/c1-18-13-14-23(19(2)16-18)25(20-8-4-3-5-9-20)27-26(30)21-10-6-11-22(17-21)28-15-7-12-24(28)29/h3-6,8-11,13-14,16-17,25H,7,12,15H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyHTOUXVGOOAZVGQ-VWLOTQADSA-N
MW398.51 g/mol
LogP4.95
Rot. Bonds5

About N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 100639599) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID100639599
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1
InChIInChI=1S/C26H26N2O2/c1-18-13-14-23(19(2)16-18)25(20-8-4-3-5-9-20)27-26(30)21-10-6-11-22(17-21)28-15-7-12-24(28)29/h3-6,8-11,13-14,16-17,25H,7,12,15H2,1-2H3,(H,27,30)/t25-/m0/s1
InChIKeyHTOUXVGOOAZVGQ-VWLOTQADSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
1-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100747696
(3R)-3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoic acid
CID 51521923
N-[1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 133199704
dimethyl-[(2R)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-phenylethyl]azanium
CID 8938357
N-benzhydryl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2555391
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110306227
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 46828137
N-[1-(4-ethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46654034
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 100639599) is N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc([C@@H](NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is HTOUXVGOOAZVGQ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18-13-14-23(19(2)16-18)25(20-8-4-3-5-9-20)27-26(30)21-10-6-11-22(17-21)28-15-7-12-24(28)29/h3-6,8-11,13-14,16-17,25H,7,12,15H2,1-2H3,(H,27,30)/t25-/m0/s1.
What are the key properties of N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 100639599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).