4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

C16H21N3O3 — CID 110746036

IUPAC4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)19-9-14(8-15(19)21)18-16(22)12-4-6-13(7-5-12)17-11(3)20/h4-7,10,14H,8-9H2,1-3H3,(H,17,20)(H,18,22)
InChIKeySHCWGCSBBXUWQT-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.38
Rot. Bonds4

About 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide

4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 110746036) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID110746036
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C16H21N3O3/c1-10(2)19-9-14(8-15(19)21)18-16(22)12-4-6-13(7-5-12)17-11(3)20/h4-7,10,14H,8-9H2,1-3H3,(H,17,20)(H,18,22)
InChIKeySHCWGCSBBXUWQT-UHFFFAOYSA-N
XLogP1.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 126446911
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
5-oxo-1-propan-2-yl-N-[4-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119734
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875746
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876978
1-(3-chloro-4-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876969
1-(1,3-benzodioxol-5-yl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876996

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 110746036) is 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is CC(=O)Nc1ccc(C(=O)NC2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is SHCWGCSBBXUWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)19-9-14(8-15(19)21)18-16(22)12-4-6-13(7-5-12)17-11(3)20/h4-7,10,14H,8-9H2,1-3H3,(H,17,20)(H,18,22).
What are the key properties of 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide?
4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 110746036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).