ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide

C28H35NO3 — CID 143804226

IUPACethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
SMILESCC.CC.CCCOc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H23NO3.2C2H6/c1-2-16-28-22-14-10-20(11-15-22)25-24(27)23(17-18-6-4-3-5-7-18)19-8-12-21(26)13-9-19;2*1-2/h3-15,17,26H,2,16H2,1H3,(H,25,27);2*1-2H3/b23-17+;;
InChIKeyXXQMEWNKUPKXEN-DQKALADDSA-N
MW433.59 g/mol
LogP7.41
Rot. Bonds7

About ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide

ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide (PubChem CID 143804226) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Nameethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
PubChem CID143804226
Molecular FormulaC28H35NO3
Molecular Weight433.59 g/mol
Exact Mass433.26
IUPAC Nameethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
SMILESCC.CC.CCCOc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H23NO3.2C2H6/c1-2-16-28-22-14-10-20(11-15-22)25-24(27)23(17-18-6-4-3-5-7-18)19-8-12-21(26)13-9-19;2*1-2/h3-15,17,26H,2,16H2,1H3,(H,25,27);2*1-2H3/b23-17+;;
InChIKeyXXQMEWNKUPKXEN-DQKALADDSA-N
XLogP7.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.59
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)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

propyl 4-[[(E)-2,3-diphenylprop-2-enoyl]amino]benzoate
CID 6380758
(E)-2,3-diphenyl-N-(4-phenylmethoxyphenyl)prop-2-enamide
CID 6534022
(Z)-2-acetamido-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide
CID 8767931
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(4-ethylphenyl)-2,3-diphenylprop-2-enamide
CID 6534390
4-butoxy-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2257783
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-(2-phenylethyl)-N'-(4-propoxyphenyl)oxamide
CID 2966854
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide (CID 143804226) is ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide is CC.CC.CCCOc1ccc(NC(=O)/C(=C/c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is XXQMEWNKUPKXEN-DQKALADDSA-N. The full InChI is InChI=1S/C24H23NO3.2C2H6/c1-2-16-28-22-14-10-20(11-15-22)25-24(27)23(17-18-6-4-3-5-7-18)19-8-12-21(26)13-9-19;2*1-2/h3-15,17,26H,2,16H2,1H3,(H,25,27);2*1-2H3/b23-17+;;.
What are the key properties of ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide?
ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 433.59 g/mol, XLogP of 7.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-(4-hydroxyphenyl)-3-phenyl-N-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 143804226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).