3-oxo-N-(phenylcarbamoyl)butanamide

C11H12N2O3 — CID 10466039

IUPAC3-oxo-N-(phenylcarbamoyl)butanamide
SMILESCC(=O)CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H12N2O3/c1-8(14)7-10(15)13-11(16)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16)
InChIKeyPFYFFNQHZIRBOD-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.31
Rot. Bonds3

About 3-oxo-N-(phenylcarbamoyl)butanamide

3-oxo-N-(phenylcarbamoyl)butanamide (PubChem CID 10466039) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-oxo-N-(phenylcarbamoyl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(phenylcarbamoyl)butanamide
PubChem CID10466039
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name3-oxo-N-(phenylcarbamoyl)butanamide
SMILESCC(=O)CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C11H12N2O3/c1-8(14)7-10(15)13-11(16)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16)
InChIKeyPFYFFNQHZIRBOD-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-phenylbutanamide
CID 161275903
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
1-methyl-3-phenylurea;propane
CID 142949663
cobalt;N-phenylacetamide
CID 158689050
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748
N-[(4-methylsulfanylphenyl)carbamoyl]-3-oxo-3-phenylpropanamide
CID 21045481
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
butyl N-(phenylcarbamoyl)carbamate
CID 67363969
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(phenylcarbamoyl)butanamide?
The IUPAC name of 3-oxo-N-(phenylcarbamoyl)butanamide (CID 10466039) is 3-oxo-N-(phenylcarbamoyl)butanamide.
What is the SMILES notation for 3-oxo-N-(phenylcarbamoyl)butanamide?
The canonical SMILES for 3-oxo-N-(phenylcarbamoyl)butanamide is CC(=O)CC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 3-oxo-N-(phenylcarbamoyl)butanamide?
The InChIKey is PFYFFNQHZIRBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(14)7-10(15)13-11(16)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16).
What are the key properties of 3-oxo-N-(phenylcarbamoyl)butanamide?
3-oxo-N-(phenylcarbamoyl)butanamide has a molecular weight of 220.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(phenylcarbamoyl)butanamide is sourced from PubChem (CID 10466039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).