(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

C23H22N2O2 — CID 9005100

IUPAC(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C23H22N2O2/c1-15-7-5-8-16(2)22(15)24-23(27)18-13-21(26)25(14-18)20-12-6-10-17-9-3-4-11-19(17)20/h3-12,18H,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyIUADAQCALXDHKG-SFHVURJKSA-N
MW358.44 g/mol
LogP4.45
Rot. Bonds3

About (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide

(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9005100) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
PubChem CID9005100
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C23H22N2O2/c1-15-7-5-8-16(2)22(15)24-23(27)18-13-21(26)25(14-18)20-12-6-10-17-9-3-4-11-19(17)20/h3-12,18H,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1
InChIKeyIUADAQCALXDHKG-SFHVURJKSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-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-(2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914330
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-1-naphthalen-1-yl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxamide
CID 40847514
1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
N-(2-hydroxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46665270
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30244943
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26209339
(3S)-N-(2-morpholin-4-ylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9461562
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
4-[[(3S)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005113
(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide (CID 9005100) is (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IUADAQCALXDHKG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-7-5-8-16(2)22(15)24-23(27)18-13-21(26)25(14-18)20-12-6-10-17-9-3-4-11-19(17)20/h3-12,18H,13-14H2,1-2H3,(H,24,27)/t18-/m0/s1.
What are the key properties of (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9005100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).