2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide

C16H22N2O2 — CID 24622415

IUPAC2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-3-12(2)16(20)17-11-13-6-8-14(9-7-13)18-10-4-5-15(18)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeySKAPUBBIICVBJG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide

2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide (PubChem CID 24622415) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
PubChem CID24622415
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C16H22N2O2/c1-3-12(2)16(20)17-11-13-6-8-14(9-7-13)18-10-4-5-15(18)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeySKAPUBBIICVBJG-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(carbamoylamino)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide
CID 8589059
(2S)-2-amino-4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 119694543
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 131906571
N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 52527330
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544713
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]pentan-2-yl]benzamide
CID 8589123
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide (CID 24622415) is 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide is CCC(C)C(=O)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
The InChIKey is SKAPUBBIICVBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12(2)16(20)17-11-13-6-8-14(9-7-13)18-10-4-5-15(18)19/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide?
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide has a molecular weight of 274.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 24622415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).