(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C23H27N3O3 — CID 40822791

IUPAC(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C23H27N3O3/c1-3-4-13-24-23(29)19-7-5-6-8-20(19)25-22(28)17-14-21(27)26(15-17)18-11-9-16(2)10-12-18/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,28)/t17-/m1/s1
InChIKeySUGLHKPOQPIIHC-QGZVFWFLSA-N
MW393.49 g/mol
LogP3.52
Rot. Bonds7

About (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40822791) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40822791
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C23H27N3O3/c1-3-4-13-24-23(29)19-7-5-6-8-20(19)25-22(28)17-14-21(27)26(15-17)18-11-9-16(2)10-12-18/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,28)/t17-/m1/s1
InChIKeySUGLHKPOQPIIHC-QGZVFWFLSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822792
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
N-[2-(butylcarbamoyl)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17151943
(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808
1-(4-acetamidophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17120257
1-(3,4-dimethylphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17082457
(3S)-1-(4-ethoxyphenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34749282
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082104
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 40822791) is (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SUGLHKPOQPIIHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-4-13-24-23(29)19-7-5-6-8-20(19)25-22(28)17-14-21(27)26(15-17)18-11-9-16(2)10-12-18/h5-12,17H,3-4,13-15H2,1-2H3,(H,24,29)(H,25,28)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(butylcarbamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40822791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).