(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

C26H26N2O2 — CID 93331810

IUPAC(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C26H26N2O2/c1-27(19-21-12-6-3-7-13-21)25(29)23-16-17-28(26(23)30)24-15-9-8-14-22(24)18-20-10-4-2-5-11-20/h2-15,23H,16-19H2,1H3/t23-/m0/s1
InChIKeyBFZRXWSEYXFJNR-QHCPKHFHSA-N
MW398.51 g/mol
LogP4.29
Rot. Bonds6

About (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide

(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 93331810) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
PubChem CID93331810
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C26H26N2O2/c1-27(19-21-12-6-3-7-13-21)25(29)23-16-17-28(26(23)30)24-15-9-8-14-22(24)18-20-10-4-2-5-11-20/h2-15,23H,16-19H2,1H3/t23-/m0/s1
InChIKeyBFZRXWSEYXFJNR-QHCPKHFHSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-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

(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
CID 92991111
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
(3R)-N-benzyl-1-(2-methoxydibenzofuran-3-yl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 92991227
(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
CID 93330810
(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 92986928
N-methyl-2-oxo-1-phenyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 45214416
methyl 2-[methyl-(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]acetate
CID 45202877
2-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119171907
(2S)-2-[[(3S)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125120844
(2R)-2-[[(3R)-1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 125120843
4-[[1-(2,5-dichlorophenyl)-2-oxopyrrolidine-3-carbonyl]-methylamino]butanoic acid
CID 119172762
(3S)-1-(2-ethylphenyl)-3-propanoylpiperidin-2-one
CID 125450755

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide (CID 93331810) is (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)[C@@H]1CCN(c2ccccc2Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is BFZRXWSEYXFJNR-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-27(19-21-12-6-3-7-13-21)25(29)23-16-17-28(26(23)30)24-15-9-8-14-22(24)18-20-10-4-2-5-11-20/h2-15,23H,16-19H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide?
(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93331810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).