(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C25H25NO3 — CID 28576235

IUPAC(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCCOc1ccccc1CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-3-29-24-12-8-7-11-21(24)18-26-25(27)23(20-9-5-4-6-10-20)17-19-13-15-22(28-2)16-14-19/h4-17H,3,18H2,1-2H3,(H,26,27)/b23-17+
InChIKeyVXPLYXMJRRPJTM-HAVVHWLPSA-N
MW387.48 g/mol
LogP4.95
Rot. Bonds8

About (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 28576235) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID28576235
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCCOc1ccccc1CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-3-29-24-12-8-7-11-21(24)18-26-25(27)23(20-9-5-4-6-10-20)17-19-13-15-22(28-2)16-14-19/h4-17H,3,18H2,1-2H3,(H,26,27)/b23-17+
InChIKeyVXPLYXMJRRPJTM-HAVVHWLPSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 94472552
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812
(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 33068115
(E)-N-(2-ethylhexyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 133244558
(E)-3-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylprop-2-enamide
CID 1121502
(E)-3-(4-ethoxyphenyl)-N-(2-indol-1-ylethyl)-2-phenylprop-2-enamide
CID 108750545
(E)-N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(4-ethoxyphenyl)-2-phenylprop-2-enamide
CID 108760549
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
CID 94018955

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 28576235) is (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is CCOc1ccccc1CNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is VXPLYXMJRRPJTM-HAVVHWLPSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-29-24-12-8-7-11-21(24)18-26-25(27)23(20-9-5-4-6-10-20)17-19-13-15-22(28-2)16-14-19/h4-17H,3,18H2,1-2H3,(H,26,27)/b23-17+.
What are the key properties of (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 387.48 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 28576235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).