3-(2-ethoxyphenyl)-N-ethylprop-2-enamide

C13H17NO2 — CID 76872072

IUPAC3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1ccccc1OCC
InChIInChI=1S/C13H17NO2/c1-3-14-13(15)10-9-11-7-5-6-8-12(11)16-4-2/h5-10H,3-4H2,1-2H3,(H,14,15)
InChIKeyWJPAOGQWLZWHSI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.23
Rot. Bonds5

About 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide

3-(2-ethoxyphenyl)-N-ethylprop-2-enamide (PubChem CID 76872072) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
PubChem CID76872072
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1ccccc1OCC
InChIInChI=1S/C13H17NO2/c1-3-14-13(15)10-9-11-7-5-6-8-12(11)16-4-2/h5-10H,3-4H2,1-2H3,(H,14,15)
InChIKeyWJPAOGQWLZWHSI-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyphenyl)-N-ethylprop-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

(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
1-[[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449820
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
(E)-3-(2-ethoxyphenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 43008492
(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
(E)-3-(2-ethoxyphenyl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 32969540

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide (CID 76872072) is 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide is CCNC(=O)C=Cc1ccccc1OCC.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide?
The InChIKey is WJPAOGQWLZWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-14-13(15)10-9-11-7-5-6-8-12(11)16-4-2/h5-10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide?
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 76872072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).