2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide

C20H24N2O2 — CID 3994867

IUPAC2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide
SMILESCOc1ccccc1C=CC=C(C#N)C(=O)NC1CCCCC1C
InChIInChI=1S/C20H24N2O2/c1-15-8-3-5-12-18(15)22-20(23)17(14-21)11-7-10-16-9-4-6-13-19(16)24-2/h4,6-7,9-11,13,15,18H,3,5,8,12H2,1-2H3,(H,22,23)
InChIKeyYDEQGKJVKNRYCZ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds5

About 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide

2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide (PubChem CID 3994867) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide.

Molecular Properties

Compound Name2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide
PubChem CID3994867
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide
SMILESCOc1ccccc1C=CC=C(C#N)C(=O)NC1CCCCC1C
InChIInChI=1S/C20H24N2O2/c1-15-8-3-5-12-18(15)22-20(23)17(14-21)11-7-10-16-9-4-6-13-19(16)24-2/h4,6-7,9-11,13,15,18H,3,5,8,12H2,1-2H3,(H,22,23)
InChIKeyYDEQGKJVKNRYCZ-UHFFFAOYSA-N
XLogP3.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.85
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide
CID 5349952
(E)-2-cyano-3-(2-ethoxyphenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7992313
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8862474
(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
(E)-2-cyano-N-cyclododecyl-3-(2-methoxyphenyl)prop-2-enamide
CID 19175296
(E)-2-cyano-3-(3-methoxy-4-methylphenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 5349950
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7040801
(E)-2-cyano-3-(3-hydroxy-4-methoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7481079
(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
CID 2351530
(E)-2-cyano-3-(3-fluoro-4-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 9333873
2-cyano-3-[3-[2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-enyl]phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
CID 4617152
2-cyano-3-(3-hydroxyphenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 3453433

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide?
The IUPAC name of 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide (CID 3994867) is 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide.
What is the SMILES notation for 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide?
The canonical SMILES for 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide is COc1ccccc1C=CC=C(C#N)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide?
The InChIKey is YDEQGKJVKNRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-8-3-5-12-18(15)22-20(23)17(14-21)11-7-10-16-9-4-6-13-19(16)24-2/h4,6-7,9-11,13,15,18H,3,5,8,12H2,1-2H3,(H,22,23).
What are the key properties of 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide?
2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide has a molecular weight of 324.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide is sourced from PubChem (CID 3994867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).