2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide

C22H18N2O2 — CID 3578383

IUPAC2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc2ccccc2c1C=C(C#N)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H18N2O2/c1-15-7-10-18(11-8-15)24-22(25)17(14-23)13-20-19-6-4-3-5-16(19)9-12-21(20)26-2/h3-13H,1-2H3,(H,24,25)
InChIKeyQZOHCCVGGKSKCO-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.70
Rot. Bonds4

About 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide

2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide (PubChem CID 3578383) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
PubChem CID3578383
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
SMILESCOc1ccc2ccccc2c1C=C(C#N)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C22H18N2O2/c1-15-7-10-18(11-8-15)24-22(25)17(14-23)13-20-19-6-4-3-5-16(19)9-12-21(20)26-2/h3-13H,1-2H3,(H,24,25)
InChIKeyQZOHCCVGGKSKCO-UHFFFAOYSA-N
XLogP4.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.70
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-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
CID 19183485
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-propoxynaphthalen-1-yl)prop-2-enamide
CID 8865996
2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 1269810
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 7912082
2-cyano-N-(4-ethylphenyl)-3-(2-hydroxynaphthalen-1-yl)prop-2-enamide
CID 1274989
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 3604448
(E)-2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(4-methylphenyl)prop-2-enamide
CID 2170838
(E)-2-cyano-N-(4-methoxyphenyl)-3-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
CID 126231021
(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
CID 2688723
2-cyano-3-(3,4-diethoxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 75895568
(E)-3-(1-benzofuran-2-yl)-2-cyano-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 24582653

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide (CID 3578383) is 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide is COc1ccc2ccccc2c1C=C(C#N)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide?
The InChIKey is QZOHCCVGGKSKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15-7-10-18(11-8-15)24-22(25)17(14-23)13-20-19-6-4-3-5-16(19)9-12-21(20)26-2/h3-13H,1-2H3,(H,24,25).
What are the key properties of 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide?
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 3578383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).