2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide

C22H18N2O2 — CID 2790612

IUPAC2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCCOc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-19-12-10-16(11-13-19)14-18(15-23)22(25)24-21-9-5-7-17-6-3-4-8-20(17)21/h3-14H,2H2,1H3,(H,24,25)
InChIKeyQTXHGQFPBWNSSF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.78
Rot. Bonds5

About 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide

2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 2790612) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID2790612
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCCOc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C22H18N2O2/c1-2-26-19-12-10-16(11-13-19)14-18(15-23)22(25)24-21-9-5-7-17-6-3-4-8-20(17)21/h3-14H,2H2,1H3,(H,24,25)
InChIKeyQTXHGQFPBWNSSF-UHFFFAOYSA-N
XLogP4.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.78
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-naphthalen-1-yl-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 60591928
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 26476001
(E)-2-cyano-3-(4-hydroxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 7559871
(E)-2-cyano-N-(2,6-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 7481190
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 875169
2-cyano-3-(4-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 3828675
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
2-cyano-3-[4-(naphthalen-1-ylmethoxy)phenyl]-N-(2-nitrophenyl)prop-2-enamide
CID 4570144
(Z)-2-cyano-3-(4-ethoxyphenyl)-N-[3-(hydroxymethyl)phenyl]prop-2-enamide
CID 110885024
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
CID 7966917
N-(4-chlorophenyl)-2-cyano-3-(4-ethoxyphenyl)prop-2-enamide
CID 3839251

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 2790612) is 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is CCOc1ccc(C=C(C#N)C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is QTXHGQFPBWNSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-2-26-19-12-10-16(11-13-19)14-18(15-23)22(25)24-21-9-5-7-17-6-3-4-8-20(17)21/h3-14H,2H2,1H3,(H,24,25).
What are the key properties of 2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 4.78, 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-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 2790612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).