(E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide

C22H19NO3 — CID 684255

IUPAC(E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO3/c1-25-19-13-11-18(12-14-19)23-22(24)15-10-17-6-5-9-21(16-17)26-20-7-3-2-4-8-20/h2-16H,1H3,(H,23,24)/b15-10+
InChIKeyRUZGWFZOHDVZDI-XNTDXEJSSA-N
MW345.40 g/mol
LogP5.14
Rot. Bonds6

About (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide

(E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 684255) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
PubChem CID684255
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name(E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C22H19NO3/c1-25-19-13-11-18(12-14-19)23-22(24)15-10-17-6-5-9-21(16-17)26-20-7-3-2-4-8-20/h2-16H,1H3,(H,23,24)/b15-10+
InChIKeyRUZGWFZOHDVZDI-XNTDXEJSSA-N
XLogP5.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)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

Cilostamide
CID 2753
Diamfenetide
CID 37384
N-(4-Phenoxyphenyl)acetamide
CID 80579
4-methoxy-2-methyl-N-phenylaniline
CID 162461
Haplamine
CID 648601
N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
N-(4-methoxyphenyl) caffeamide
CID 46861776
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
(2Z)-2-cyano-N-(3'-ethoxybiphenyl-4-yl)-3-hydroxybut-2-enamide
CID 54727985
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide (CID 684255) is (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is RUZGWFZOHDVZDI-XNTDXEJSSA-N. The full InChI is InChI=1S/C22H19NO3/c1-25-19-13-11-18(12-14-19)23-22(24)15-10-17-6-5-9-21(16-17)26-20-7-3-2-4-8-20/h2-16H,1H3,(H,23,24)/b15-10+.
What are the key properties of (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
(E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide has a molecular weight of 345.40 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxyphenyl)-3-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 684255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).