3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide

C17H24N2O2 — CID 51100996

IUPAC3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
SMILESCC(C)C(C(=O)NCCc1ccccc1)N1CCCC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)16(19-12-6-9-15(19)20)17(21)18-11-10-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,18,21)
InChIKeySFQCYBZVDXHUCO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds6

About 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide (PubChem CID 51100996) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
PubChem CID51100996
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
SMILESCC(C)C(C(=O)NCCc1ccccc1)N1CCCC1=O
InChIInChI=1S/C17H24N2O2/c1-13(2)16(19-12-6-9-15(19)20)17(21)18-11-10-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,18,21)
InChIKeySFQCYBZVDXHUCO-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
(2S)-N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 98354419
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95177177
N-(2-ethyl-2-hydroxybutyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111463359
(2R)-3-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95352824
(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52515379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide (CID 51100996) is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide is CC(C)C(C(=O)NCCc1ccccc1)N1CCCC1=O.
What is the InChIKey of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is SFQCYBZVDXHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)16(19-12-6-9-15(19)20)17(21)18-11-10-14-7-4-3-5-8-14/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide?
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 288.39 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 51100996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).