(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide

C25H25NO3 — CID 33068115

IUPAC(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOCc1ccccc1CNC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-28-18-22-13-7-6-12-21(22)17-26-25(27)24(20-10-4-3-5-11-20)16-19-9-8-14-23(15-19)29-2/h3-16H,17-18H2,1-2H3,(H,26,27)/b24-16+
InChIKeyLGIZYYPQCITXSL-LFVJCYFKSA-N
MW387.48 g/mol
LogP4.70
Rot. Bonds8

About (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 33068115) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID33068115
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOCc1ccccc1CNC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-28-18-22-13-7-6-12-21(22)17-26-25(27)24(20-10-4-3-5-11-20)16-19-9-8-14-23(15-19)29-2/h3-16H,17-18H2,1-2H3,(H,26,27)/b24-16+
InChIKeyLGIZYYPQCITXSL-LFVJCYFKSA-N
XLogP4.70
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 ≤ 54.70
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'}

Analyze (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-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

N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 5038246
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
CID 39953949
(2-chlorophenyl)methyl (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 2435461
(E)-N-[(2-ethoxyphenyl)methyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 28576235
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(E)-N-(2-methoxyethyl)-2,3-diphenylprop-2-enamide
CID 19174350
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (E)-3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 7860674
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505
methyl 3-[[(E)-2,3-diphenylprop-2-enoyl]amino]propanoate
CID 102534464
(Z)-3-(3-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239542

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide (CID 33068115) is (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide is COCc1ccccc1CNC(=O)/C(=C/c1cccc(OC)c1)c1ccccc1.
What is the InChIKey of (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is LGIZYYPQCITXSL-LFVJCYFKSA-N. The full InChI is InChI=1S/C25H25NO3/c1-28-18-22-13-7-6-12-21(22)17-26-25(27)24(20-10-4-3-5-11-20)16-19-9-8-14-23(15-19)29-2/h3-16H,17-18H2,1-2H3,(H,26,27)/b24-16+.
What are the key properties of (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 387.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 33068115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).