1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H30N2O2 — CID 18079780

IUPAC1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H30N2O2/c1-16(2)20-11-8-12-21(17(3)4)23(20)25-24(28)19-13-22(27)26(15-19)14-18-9-6-5-7-10-18/h5-12,16-17,19H,13-15H2,1-4H3,(H,25,28)
InChIKeyQJNDZOINRUIXGL-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.92
Rot. Bonds6

About 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 18079780) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID18079780
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H30N2O2/c1-16(2)20-11-8-12-21(17(3)4)23(20)25-24(28)19-13-22(27)26(15-19)14-18-9-6-5-7-10-18/h5-12,16-17,19H,13-15H2,1-4H3,(H,25,28)
InChIKeyQJNDZOINRUIXGL-UHFFFAOYSA-N
XLogP4.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113183735
N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185332
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 40842729
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(3S)-1-benzyl-N-(1-naphthalen-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 174554990
(3S)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914467
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
5-oxo-1-(3-phenylpropyl)-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185328
1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885882
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 18079780) is 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC(C)c1cccc(C(C)C)c1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QJNDZOINRUIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16(2)20-11-8-12-21(17(3)4)23(20)25-24(28)19-13-22(27)26(15-19)14-18-9-6-5-7-10-18/h5-12,16-17,19H,13-15H2,1-4H3,(H,25,28).
What are the key properties of 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18079780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).