(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide

C19H19NO4 — CID 46248677

IUPAC(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
SMILESCCc1ccc(NC(=O)C(=O)/C=C(\O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19NO4/c1-3-13-7-9-15(10-8-13)20-19(23)18(22)12-17(21)14-5-4-6-16(11-14)24-2/h4-12,21H,3H2,1-2H3,(H,20,23)/b17-12-
InChIKeyWCCZPANGVKIZRA-ATVHPVEESA-N
MW325.36 g/mol
LogP3.36
Rot. Bonds6

About (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide

(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide (PubChem CID 46248677) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide.

Molecular Properties

Compound Name(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
PubChem CID46248677
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
SMILESCCc1ccc(NC(=O)C(=O)/C=C(\O)c2cccc(OC)c2)cc1
InChIInChI=1S/C19H19NO4/c1-3-13-7-9-15(10-8-13)20-19(23)18(22)12-17(21)14-5-4-6-16(11-14)24-2/h4-12,21H,3H2,1-2H3,(H,20,23)/b17-12-
InChIKeyWCCZPANGVKIZRA-ATVHPVEESA-N
XLogP3.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

(Z)-N-(4-bromophenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
CID 46248684
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide
CID 158950005
(Z)-1,1-difluoro-4-hydroxy-4-(3-methoxyphenyl)but-3-en-2-one
CID 7147454
N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-methoxybenzamide
CID 50818276
4-[[4-(3-methoxyphenyl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 977756
N-(4-bromophenyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
CID 790030
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116760

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide?
The IUPAC name of (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide (CID 46248677) is (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide.
What is the SMILES notation for (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide?
The canonical SMILES for (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide is CCc1ccc(NC(=O)C(=O)/C=C(\O)c2cccc(OC)c2)cc1.
What is the InChIKey of (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide?
The InChIKey is WCCZPANGVKIZRA-ATVHPVEESA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-13-7-9-15(10-8-13)20-19(23)18(22)12-17(21)14-5-4-6-16(11-14)24-2/h4-12,21H,3H2,1-2H3,(H,20,23)/b17-12-.
What are the key properties of (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide?
(Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide has a molecular weight of 325.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-ethylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide is sourced from PubChem (CID 46248677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).