2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide

C22H18N2O2 — CID 1274989

IUPAC2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C(C#N)=Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-2-15-7-10-18(11-8-15)24-22(26)17(14-23)13-20-19-6-4-3-5-16(19)9-12-21(20)25/h3-13,25H,2H2,1H3,(H,24,26)
InChIKeyQQWHDDJOSRFWBX-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.65
Rot. Bonds4

About 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide

2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide (PubChem CID 1274989) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide
PubChem CID1274989
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide
SMILESCCc1ccc(NC(=O)C(C#N)=Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-2-15-7-10-18(11-8-15)24-22(26)17(14-23)13-20-19-6-4-3-5-16(19)9-12-21(20)25/h3-13,25H,2H2,1H3,(H,24,26)
InChIKeyQQWHDDJOSRFWBX-UHFFFAOYSA-N
XLogP4.65
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
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

2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 1269810
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 7967214
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 2378159
(Z)-2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethylphenyl)prop-2-enamide
CID 21209303
(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(4-ethylphenyl)prop-2-enamide
CID 6126968
(E)-2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 154854308
2-cyano-3-(dimethylamino)-N-(4-ethylphenyl)prop-2-enamide
CID 171149261
(Z)-2-cyano-3-(1,5-dimethylpyrrol-2-yl)-N-(4-ethylphenyl)prop-2-enamide
CID 50856073
methyl 4-[(E)-2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]benzoate
CID 1271868
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4-ethylanilino)prop-2-enamide
CID 108818617
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide (CID 1274989) is 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide is CCc1ccc(NC(=O)C(C#N)=Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is QQWHDDJOSRFWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-15-7-10-18(11-8-15)24-22(26)17(14-23)13-20-19-6-4-3-5-16(19)9-12-21(20)25/h3-13,25H,2H2,1H3,(H,24,26).
What are the key properties of 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide?
2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 1274989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).