2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide

C19H18N2O2 — CID 3828675

IUPAC2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H18N2O2/c1-3-23-18-9-7-15(8-10-18)12-16(13-20)19(22)21-17-6-4-5-14(2)11-17/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyDPSVSFFBKWGLII-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.94
Rot. Bonds5

About 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide

2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide (PubChem CID 3828675) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
PubChem CID3828675
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
SMILESCCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C19H18N2O2/c1-3-23-18-9-7-15(8-10-18)12-16(13-20)19(22)21-17-6-4-5-14(2)11-17/h4-12H,3H2,1-2H3,(H,21,22)
InChIKeyDPSVSFFBKWGLII-UHFFFAOYSA-N
XLogP3.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(3-methylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 99868430
ethyl 3-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 19174970
(Z)-2-cyano-3-(4-ethoxyphenyl)-N-[3-(hydroxymethyl)phenyl]prop-2-enamide
CID 110885024
2-cyano-3-(4-ethoxyphenyl)-N-(3-propan-2-yloxyphenyl)prop-2-enamide
CID 165344868
[2-(3-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537715
(E)-2-cyano-3-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]-N-(3-methylphenyl)prop-2-enamide
CID 126264380
4-[2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoic acid
CID 877034
(E)-2-cyano-N-(3,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 19174988
methyl 4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2208505
4-[(Z)-2-cyano-3-(3-ethoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 2208157
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251
2-cyano-N-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 5025351

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide (CID 3828675) is 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide is CCOc1ccc(C=C(C#N)C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
The InChIKey is DPSVSFFBKWGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-23-18-9-7-15(8-10-18)12-16(13-20)19(22)21-17-6-4-5-14(2)11-17/h4-12H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide?
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 3828675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).