(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C19H19NO3 — CID 797467

IUPAC(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-18-10-7-15(8-11-18)9-12-19(22)20-17-6-4-5-16(13-17)14(2)21/h4-13H,3H2,1-2H3,(H,20,22)/b12-9+
InChIKeyWGLYCVMVKHRSLS-FMIVXFBMSA-N
MW309.37 g/mol
LogP3.94
Rot. Bonds6

About (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 797467) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID797467
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C19H19NO3/c1-3-23-18-10-7-15(8-11-18)9-12-19(22)20-17-6-4-5-16(13-17)14(2)21/h4-13H,3H2,1-2H3,(H,20,22)/b12-9+
InChIKeyWGLYCVMVKHRSLS-FMIVXFBMSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-[3-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858757
(E)-N-(3-acetylphenyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enamide
CID 2071597
ethyl 3-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4138200
(E)-N-[3-(2-ethoxyethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227161
N-(3-acetylphenyl)-3-(4-bromophenyl)prop-2-enamide
CID 896669
ethyl 3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 890217
ethyl 3-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate
CID 890216
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-3-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)carbamothioyl]prop-2-enamide
CID 17227534
N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 5049931
3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51152920

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 797467) is (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is WGLYCVMVKHRSLS-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-18-10-7-15(8-11-18)9-12-19(22)20-17-6-4-5-16(13-17)14(2)21/h4-13H,3H2,1-2H3,(H,20,22)/b12-9+.
What are the key properties of (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 309.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 797467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).