1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H24N2O2 — CID 146330092

IUPAC1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(C2CN(C)C(=O)C2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)15-8-7-9-16(12-15)18-13-23(3)21(25)19(18)20(24)22-17-10-5-4-6-11-17/h4-12,14,18-19H,13H2,1-3H3,(H,22,24)
InChIKeyXDFJMHRNTWVDHC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.62
Rot. Bonds4

About 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 146330092) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID146330092
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(C2CN(C)C(=O)C2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-14(2)15-8-7-9-16(12-15)18-13-23(3)21(25)19(18)20(24)22-17-10-5-4-6-11-17/h4-12,14,18-19H,13H2,1-3H3,(H,22,24)
InChIKeyXDFJMHRNTWVDHC-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1-methyl-N-(2-methylsulfonylphenyl)-2-oxo-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 134416093
(3S,4S)-3-[2-(2,4-difluorophenyl)acetyl]-1-methyl-4-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 159496808
[2-fluoro-5-[4-[(2-fluorophenyl)carbamoyl]-1-methyl-5-oxopyrrolidin-3-yl]phenyl]thallium
CID 163597452
(3S,4S)-4-(3-fluorophenyl)-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134416094
(3S,4S)-4-[3-(difluoromethoxymethyl)phenyl]-1-methyl-N-(2-methylsulfanylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411796
N-(2,3-difluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134411805
(3S,4S)-4-(3,4-difluorophenyl)-N-(6-fluoro-2-pyridinyl)-1-methyl-2-oxopyrrolidine-3-carboxamide
CID 134412683
(3S,4S)-4-[3-(difluoromethoxymethyl)phenyl]-1-methyl-N-(2-methylsulfonylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 134411795
(3S,4S)-N-(2-fluorophenyl)-1-methyl-2-oxo-4-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 134411876
1-(2-methylpropyl)-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46420018
(3S,4S)-N-(3-chloro-4-fluorophenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412284
(3R,4R)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3-carboxamide
CID 134412480

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 146330092) is 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(C2CN(C)C(=O)C2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XDFJMHRNTWVDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14(2)15-8-7-9-16(12-15)18-13-23(3)21(25)19(18)20(24)22-17-10-5-4-6-11-17/h4-12,14,18-19H,13H2,1-3H3,(H,22,24).
What are the key properties of 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-phenyl-4-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 146330092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).