N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C16H20N2O3 — CID 113175551

IUPACN-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)N2CCCC2)C(C)=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12(19)14-5-7-15(8-6-14)18(13(2)20)11-16(21)17-9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLQFOITBVQLMSBL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.86
Rot. Bonds4

About N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 113175551) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID113175551
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)c1ccc(N(CC(=O)N2CCCC2)C(C)=O)cc1
InChIInChI=1S/C16H20N2O3/c1-12(19)14-5-7-15(8-6-14)18(13(2)20)11-16(21)17-9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3
InChIKeyLQFOITBVQLMSBL-UHFFFAOYSA-N
XLogP1.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972
N-(3,5-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113168438
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
methyl 4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 113176365
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
N-(3-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113177878

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 113175551) is N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CC(=O)c1ccc(N(CC(=O)N2CCCC2)C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is LQFOITBVQLMSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(19)14-5-7-15(8-6-14)18(13(2)20)11-16(21)17-9-3-4-10-17/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 113175551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).