(E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide

C13H15NO3 — CID 155516040

IUPAC(E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide
SMILESCOc1ccccc1C(=O)/C=C/C(=O)N(C)C
InChIInChI=1S/C13H15NO3/c1-14(2)13(16)9-8-11(15)10-6-4-5-7-12(10)17-3/h4-9H,1-3H3/b9-8+
InChIKeyVOZHHTXGJQELBY-CMDGGOBGSA-N
MW233.27 g/mol
LogP1.52
Rot. Bonds4

About (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide

(E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide (PubChem CID 155516040) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide
PubChem CID155516040
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide
SMILESCOc1ccccc1C(=O)/C=C/C(=O)N(C)C
InChIInChI=1S/C13H15NO3/c1-14(2)13(16)9-8-11(15)10-6-4-5-7-12(10)17-3/h4-9H,1-3H3/b9-8+
InChIKeyVOZHHTXGJQELBY-CMDGGOBGSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide 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 (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide?
The IUPAC name of (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide (CID 155516040) is (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide?
The canonical SMILES for (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide is COc1ccccc1C(=O)/C=C/C(=O)N(C)C.
What is the InChIKey of (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide?
The InChIKey is VOZHHTXGJQELBY-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(2)13(16)9-8-11(15)10-6-4-5-7-12(10)17-3/h4-9H,1-3H3/b9-8+.
What are the key properties of (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide?
(E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide has a molecular weight of 233.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyphenyl)-N,N-dimethyl-4-oxobut-2-enamide is sourced from PubChem (CID 155516040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).