(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide

C13H17NO2 — CID 28639843

IUPAC(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-4-16-12-8-5-11(6-9-12)7-10-13(15)14(2)3/h5-10H,4H2,1-3H3/b10-7+
InChIKeyPXGWQJYACXXJSM-JXMROGBWSA-N
MW219.28 g/mol
LogP2.19
Rot. Bonds4

About (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide

(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide (PubChem CID 28639843) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
PubChem CID28639843
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)N(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-4-16-12-8-5-11(6-9-12)7-10-13(15)14(2)3/h5-10H,4H2,1-3H3/b10-7+
InChIKeyPXGWQJYACXXJSM-JXMROGBWSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-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-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-methylamino]acetic acid
CID 43092174
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
2-[3-(4-ethoxyphenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930450
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61007958
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012497
3-[4-(dimethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 2880876
(Z)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 92913105
tert-butyl (E)-3-(4-ethoxyphenyl)prop-2-eneperoxoate
CID 142376825
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide (CID 28639843) is (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide is CCOc1ccc(/C=C/C(=O)N(C)C)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
The InChIKey is PXGWQJYACXXJSM-JXMROGBWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-16-12-8-5-11(6-9-12)7-10-13(15)14(2)3/h5-10H,4H2,1-3H3/b10-7+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 28639843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).