(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

C20H23N3O2 — CID 92725760

IUPAC(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-22(2)16-10-8-15(9-11-16)14-21-19(24)18-12-13-23(20(18)25)17-6-4-3-5-7-17/h3-11,18H,12-14H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyYHHADOZRAHIRPA-SFHVURJKSA-N
MW337.42 g/mol
LogP2.42
Rot. Bonds5

About (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 92725760) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID92725760
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccccc3)C2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-22(2)16-10-8-15(9-11-16)14-21-19(24)18-12-13-23(20(18)25)17-6-4-3-5-7-17/h3-11,18H,12-14H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyYHHADOZRAHIRPA-SFHVURJKSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-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

2-oxo-1-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 20964223
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003
1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46347353
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
(3S)-1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95056070
1-(4-ethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 50797619

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide (CID 92725760) is (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is CN(C)c1ccc(CNC(=O)[C@@H]2CCN(c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is YHHADOZRAHIRPA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(2)16-10-8-15(9-11-16)14-21-19(24)18-12-13-23(20(18)25)17-6-4-3-5-7-17/h3-11,18H,12-14H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 92725760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).