2-(2-acetamidophenyl)-2-oxo-N-propylacetamide

C13H16N2O3 — CID 21232282

IUPAC2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1ccccc1NC(C)=O
InChIInChI=1S/C13H16N2O3/c1-3-8-14-13(18)12(17)10-6-4-5-7-11(10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyDMOCGECTEWTPBS-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide

2-(2-acetamidophenyl)-2-oxo-N-propylacetamide (PubChem CID 21232282) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
PubChem CID21232282
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2-acetamidophenyl)-2-oxo-N-propylacetamide
SMILESCCCNC(=O)C(=O)c1ccccc1NC(C)=O
InChIInChI=1S/C13H16N2O3/c1-3-8-14-13(18)12(17)10-6-4-5-7-11(10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyDMOCGECTEWTPBS-UHFFFAOYSA-N
XLogP1.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamidophenyl)-2-oxo-N-(2-phenylethyl)acetamide
CID 3566210
2-(2-acetamidophenyl)-N-(4-ethylphenyl)-2-oxoacetamide;ethane
CID 143694562
3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide
CID 4061795
N-[2-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]phenyl]hexanamide
CID 132564613
N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
CID 3069734
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
2-(2-acetamidophenyl)-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-oxoacetamide
CID 162671196
2-hydrazinyl-N-propylbenzamide
CID 62238054
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
CID 170843062
CID 170843062

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide?
The IUPAC name of 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide (CID 21232282) is 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide is CCCNC(=O)C(=O)c1ccccc1NC(C)=O.
What is the InChIKey of 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide?
The InChIKey is DMOCGECTEWTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-8-14-13(18)12(17)10-6-4-5-7-11(10)15-9(2)16/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide?
2-(2-acetamidophenyl)-2-oxo-N-propylacetamide has a molecular weight of 248.28 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-2-oxo-N-propylacetamide is sourced from PubChem (CID 21232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).