4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide

C19H19NO5 — CID 158950005

IUPAC4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide
SMILESCOc1ccc(OC)c(C(O)=CC(=O)C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H19NO5/c1-12-4-6-13(7-5-12)20-19(23)17(22)11-16(21)15-10-14(24-2)8-9-18(15)25-3/h4-11,21H,1-3H3,(H,20,23)
InChIKeyDEDUELWRIAMTOM-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.12
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide

4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide (PubChem CID 158950005) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide
PubChem CID158950005
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide
SMILESCOc1ccc(OC)c(C(O)=CC(=O)C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C19H19NO5/c1-12-4-6-13(7-5-12)20-19(23)17(22)11-16(21)15-10-14(24-2)8-9-18(15)25-3/h4-11,21H,1-3H3,(H,20,23)
InChIKeyDEDUELWRIAMTOM-UHFFFAOYSA-N
XLogP3.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl (Z)-4-hydroxy-4-(2-methoxy-5-methylphenyl)-2-oxobut-3-enoate
CID 28665298
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7561093
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
(E)-1-(2,5-dimethoxyphenyl)-3-(4-methoxyanilino)but-2-en-1-one
CID 5416106
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
CID 46248677
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
N-[4-[3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 54182720
methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide (CID 158950005) is 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide is COc1ccc(OC)c(C(O)=CC(=O)C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide?
The InChIKey is DEDUELWRIAMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12-4-6-13(7-5-12)20-19(23)17(22)11-16(21)15-10-14(24-2)8-9-18(15)25-3/h4-11,21H,1-3H3,(H,20,23).
What are the key properties of 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide?
4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide has a molecular weight of 341.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide is sourced from PubChem (CID 158950005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).