N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H26N2O2 — CID 17081987

IUPACN-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C26H26N2O2/c1-2-19-13-15-23(16-14-19)28-18-22(17-24(28)29)26(30)27-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22,25H,2,17-18H2,1H3,(H,27,30)
InChIKeySNCGPMRHUDRMHI-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.51
Rot. Bonds6

About N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081987) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17081987
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C26H26N2O2/c1-2-19-13-15-23(16-14-19)28-18-22(17-24(28)29)26(30)27-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22,25H,2,17-18H2,1H3,(H,27,30)
InChIKeySNCGPMRHUDRMHI-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017638
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
N-butan-2-yl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2926634
(3S)-N-[(2S)-butan-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084262
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
1-(4-ethylphenyl)-5-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 46820263
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017432
(3S)-N-[(1R)-1,2-diphenylethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 93017480
(3R)-1-(4-ethylphenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 691497
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 51152076

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17081987) is N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)NC(c3ccccc3)c3ccccc3)CC2=O)cc1.
What is the InChIKey of N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SNCGPMRHUDRMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-2-19-13-15-23(16-14-19)28-18-22(17-24(28)29)26(30)27-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,22,25H,2,17-18H2,1H3,(H,27,30).
What are the key properties of N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).