(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide

C17H17NO4 — CID 70790245

IUPAC(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C)=C/Oc2ccccc2O)cc1
InChIInChI=1S/C17H17NO4/c1-12(11-22-16-6-4-3-5-15(16)19)17(20)18-13-7-9-14(21-2)10-8-13/h3-11,19H,1-2H3,(H,18,20)/b12-11+
InChIKeyOEFRSQNGUZZHPE-VAWYXSNFSA-N
MW299.33 g/mol
LogP3.32
Rot. Bonds5

About (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide

(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide (PubChem CID 70790245) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide
PubChem CID70790245
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C)=C/Oc2ccccc2O)cc1
InChIInChI=1S/C17H17NO4/c1-12(11-22-16-6-4-3-5-15(16)19)17(20)18-13-7-9-14(21-2)10-8-13/h3-11,19H,1-2H3,(H,18,20)/b12-11+
InChIKeyOEFRSQNGUZZHPE-VAWYXSNFSA-N
XLogP3.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenoxy)-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 67543829
N-(4-methoxyphenyl)-2-methyl-3-(3-methylphenoxy)prop-2-enamide
CID 67543008
(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 59498087
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
1,3-bis(4-methoxyphenyl)urea
CID 139045428
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide (CID 70790245) is (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide is COc1ccc(NC(=O)/C(C)=C/Oc2ccccc2O)cc1.
What is the InChIKey of (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is OEFRSQNGUZZHPE-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12(11-22-16-6-4-3-5-15(16)19)17(20)18-13-7-9-14(21-2)10-8-13/h3-11,19H,1-2H3,(H,18,20)/b12-11+.
What are the key properties of (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide?
(E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenoxy)-N-(4-methoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 70790245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).