2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide

C16H22N2O2 — CID 47111292

IUPAC2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCCC1=O
InChIInChI=1S/C16H22N2O2/c1-13(9-10-14-6-3-2-4-7-14)17-15(19)12-18-11-5-8-16(18)20/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,19)
InChIKeyTUPRAULGZAQUKN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.75
Rot. Bonds6

About 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 47111292) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID47111292
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCCC1=O
InChIInChI=1S/C16H22N2O2/c1-13(9-10-14-6-3-2-4-7-14)17-15(19)12-18-11-5-8-16(18)20/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,19)
InChIKeyTUPRAULGZAQUKN-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107861264
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102673706
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 4877804
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-butan-2-ylacetamide
CID 3628343
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 47111292) is 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is TUPRAULGZAQUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(9-10-14-6-3-2-4-7-14)17-15(19)12-18-11-5-8-16(18)20/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,19).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 47111292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).