N-(4-methoxyphenyl)-3-oxobutanamide

C11H13NO3 — CID 21576

IUPACN-(4-methoxyphenyl)-3-oxobutanamide
SMILESCOc1ccc(NC(=O)CC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeySWAJJKROCOJICG-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.61
Rot. Bonds4

About N-(4-methoxyphenyl)-3-oxobutanamide

N-(4-methoxyphenyl)-3-oxobutanamide (PubChem CID 21576) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-oxobutanamide
PubChem CID21576
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(4-methoxyphenyl)-3-oxobutanamide
SMILESCOc1ccc(NC(=O)CC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeySWAJJKROCOJICG-UHFFFAOYSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-oxobutanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-oxobutanamide (CID 21576) is N-(4-methoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-oxobutanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-oxobutanamide is COc1ccc(NC(=O)CC(C)=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-oxobutanamide?
The InChIKey is SWAJJKROCOJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)7-11(14)12-9-3-5-10(15-2)6-4-9/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-methoxyphenyl)-3-oxobutanamide?
N-(4-methoxyphenyl)-3-oxobutanamide has a molecular weight of 207.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 21576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).