(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide

C25H24N2O2 — CID 93330805

IUPAC(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C25H24N2O2/c28-24(26-18-20-11-5-2-6-12-20)22-15-16-27(25(22)29)23-14-8-7-13-21(23)17-19-9-3-1-4-10-19/h1-14,22H,15-18H2,(H,26,28)/t22-/m1/s1
InChIKeyMJIHXLCQKYCADT-JOCHJYFZSA-N
MW384.48 g/mol
LogP3.95
Rot. Bonds6

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

(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 93330805) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID93330805
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O
InChIInChI=1S/C25H24N2O2/c28-24(26-18-20-11-5-2-6-12-20)22-15-16-27(25(22)29)23-14-8-7-13-21(23)17-19-9-3-1-4-10-19/h1-14,22H,15-18H2,(H,26,28)/t22-/m1/s1
InChIKeyMJIHXLCQKYCADT-JOCHJYFZSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-benzylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 92986928
(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
CID 92991111
(3R)-1-(2-benzylphenyl)-N-morpholin-4-yl-2-oxopyrrolidine-3-carboxamide
CID 93330810
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
(3S)-N-benzyl-1-(2-benzylphenyl)-N-methyl-2-oxopyrrolidine-3-carboxamide
CID 93331810
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
N-benzyl-1-(cyclohexylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 90983267

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 93330805) is (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)[C@H]1CCN(c2ccccc2Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is MJIHXLCQKYCADT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(26-18-20-11-5-2-6-12-20)22-15-16-27(25(22)29)23-14-8-7-13-21(23)17-19-9-3-1-4-10-19/h1-14,22H,15-18H2,(H,26,28)/t22-/m1/s1.
What are the key properties of (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide?
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 93330805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).