N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

C21H24N2O2 — CID 110608605

IUPACN-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CCC(=O)N1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16(14-17-8-4-2-5-9-17)15-22-21(25)19-12-13-20(24)23(19)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,22,25)
InChIKeyVEGYCJUNGVMZQS-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.18
Rot. Bonds6

About N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110608605) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110608605
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CCC(=O)N1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-16(14-17-8-4-2-5-9-17)15-22-21(25)19-12-13-20(24)23(19)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,22,25)
InChIKeyVEGYCJUNGVMZQS-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
N-butan-2-yl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110406874
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
N-benzyl-5-oxo-1-phenyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 110415478
5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110626566
5-oxo-1-phenyl-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 110607112
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517
(2S)-2-benzyl-3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 124697374

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110608605) is N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is CC(CNC(=O)C1CCC(=O)N1c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is VEGYCJUNGVMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(14-17-8-4-2-5-9-17)15-22-21(25)19-12-13-20(24)23(19)18-10-6-3-7-11-18/h2-11,16,19H,12-15H2,1H3,(H,22,25).
What are the key properties of N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110608605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).