(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide

C20H23NO3 — CID 9366008

IUPAC(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C20H23NO3/c1-3-23-19-7-5-4-6-17(19)10-13-20(22)21-14-15-24-18-11-8-16(2)9-12-18/h4-13H,3,14-15H2,1-2H3,(H,21,22)/b13-10+
InChIKeyPBOSGAJAMPVQLW-JLHYYAGUSA-N
MW325.41 g/mol
LogP3.60
Rot. Bonds8

About (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide (PubChem CID 9366008) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
PubChem CID9366008
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C20H23NO3/c1-3-23-19-7-5-4-6-17(19)10-13-20(22)21-14-15-24-18-11-8-16(2)9-12-18/h4-13H,3,14-15H2,1-2H3,(H,21,22)/b13-10+
InChIKeyPBOSGAJAMPVQLW-JLHYYAGUSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]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

3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9366323
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 46442777
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 87640882
N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
CID 75266228
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9022616
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide (CID 9366008) is (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCCOc1ccc(C)cc1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
The InChIKey is PBOSGAJAMPVQLW-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-23-19-7-5-4-6-17(19)10-13-20(22)21-14-15-24-18-11-8-16(2)9-12-18/h4-13H,3,14-15H2,1-2H3,(H,21,22)/b13-10+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide has a molecular weight of 325.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide is sourced from PubChem (CID 9366008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).