2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide

C17H24N2O2 — CID 46902884

IUPAC2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-4-10-19-12-13(2)15(17(19)21)11-16(20)18-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyAWWOUKXGTIACFR-DZGCQCFKSA-N
MW288.39 g/mol
LogP2.91
Rot. Bonds6

About 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide

2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902884) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902884
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C17H24N2O2/c1-3-4-10-19-12-13(2)15(17(19)21)11-16(20)18-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyAWWOUKXGTIACFR-DZGCQCFKSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2844150
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 790557
N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
Pyrrolidinone, (4-aminophenyl)-
CID 676146
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-([1,1'-Biphenyl]-3-yl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072557
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
N-[4-(diethylamino)phenyl]cyclopentanecarboxamide
CID 849594
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 2524258
4-(1-Azepanylcarbonyl)-1-phenyl-2-pyrrolidinone
CID 2978143
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 46902884) is 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is CCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is AWWOUKXGTIACFR-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-10-19-12-13(2)15(17(19)21)11-16(20)18-14-8-6-5-7-9-14/h5-9,13,15H,3-4,10-12H2,1-2H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 288.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).