Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-

C16H15NO3 — CID 7079

IUPACN-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
SMILESCOC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2
InChIInChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyFTYSHTGKLFLKRX-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.10
Rot. Bonds5

About Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-

Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo- (PubChem CID 7079) has the molecular formula C16H15NO3 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameBenzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-
PubChem CID7079
Molecular FormulaC16H15NO3
Molecular Weight269.29 g/mol
Exact Mass269.11
IUPAC NameN-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
SMILESCOC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2
InChIInChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKeyFTYSHTGKLFLKRX-UHFFFAOYSA-N
XLogP3.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity337

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-?
The IUPAC name of Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo- (CID 7079) is N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-?
The canonical SMILES for Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo- is COC1=CC=CC=C1NC(=O)CC(=O)C2=CC=CC=C2.
What is the InChIKey of Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-?
The InChIKey is FTYSHTGKLFLKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-?
Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo- has a molecular weight of 269.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo- is sourced from PubChem (CID 7079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).