3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide

C21H24N2O3 — CID 28642606

IUPAC3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
SMILESCCOc1ccc(/C=C/C(=O)N(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-19-11-8-17(9-12-19)10-13-21(25)23(15-14-20(22)24)16-18-6-4-3-5-7-18/h3-13H,2,14-16H2,1H3,(H2,22,24)/b13-10+
InChIKeySDLIMMVBIYWQGE-JLHYYAGUSA-N
MW352.43 g/mol
LogP3.00
Rot. Bonds9

About 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide

3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide (PubChem CID 28642606) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
PubChem CID28642606
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
SMILESCCOc1ccc(/C=C/C(=O)N(CCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-19-11-8-17(9-12-19)10-13-21(25)23(15-14-20(22)24)16-18-6-4-3-5-7-18/h3-13H,2,14-16H2,1H3,(H2,22,24)/b13-10+
InChIKeySDLIMMVBIYWQGE-JLHYYAGUSA-N
XLogP3.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide 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-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61007958
3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
CID 72689409
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
CID 73010710
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012497
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195946
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
3-[benzyl-(2-naphthalen-2-yloxyacetyl)amino]propanamide
CID 27899305
(E)-N-[benzyl(methyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227324
3-[benzyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 115949721
(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227515

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide (CID 28642606) is 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide is CCOc1ccc(/C=C/C(=O)N(CCC(N)=O)Cc2ccccc2)cc1.
What is the InChIKey of 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide?
The InChIKey is SDLIMMVBIYWQGE-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-19-11-8-17(9-12-19)10-13-21(25)23(15-14-20(22)24)16-18-6-4-3-5-7-18/h3-13H,2,14-16H2,1H3,(H2,22,24)/b13-10+.
What are the key properties of 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide?
3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 28642606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).