(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide

C17H17NO3 — CID 84552249

IUPAC(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H17NO3/c1-2-21-16-6-4-3-5-15(16)18-17(20)12-9-13-7-10-14(19)11-8-13/h3-12,19H,2H2,1H3,(H,18,20)/b12-9+
InChIKeyKASQEJUSGVMSCH-FMIVXFBMSA-N
MW283.33 g/mol
LogP3.44
Rot. Bonds5

About (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 84552249) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID84552249
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H17NO3/c1-2-21-16-6-4-3-5-15(16)18-17(20)12-9-13-7-10-14(19)11-8-13/h3-12,19H,2H2,1H3,(H,18,20)/b12-9+
InChIKeyKASQEJUSGVMSCH-FMIVXFBMSA-N
XLogP3.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-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

Related Compounds

methyl 4-[3-(2-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 78687366
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
4-[2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenoxy]benzoic acid
CID 174534966
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide (CID 84552249) is (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide is CCOc1ccccc1NC(=O)/C=C/c1ccc(O)cc1.
What is the InChIKey of (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KASQEJUSGVMSCH-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-21-16-6-4-3-5-15(16)18-17(20)12-9-13-7-10-14(19)11-8-13/h3-12,19H,2H2,1H3,(H,18,20)/b12-9+.
What are the key properties of (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 283.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 84552249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).