(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide

C19H22N2O — CID 5349952

IUPAC(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide
SMILESCC1CCCCC1NC(=O)/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O/c1-15-8-5-6-13-18(15)21-19(22)17(14-20)12-7-11-16-9-3-2-4-10-16/h2-4,7,9-12,15,18H,5-6,8,13H2,1H3,(H,21,22)/b11-7+,17-12+
InChIKeyNLYCLZBPTYRQHO-RMXCOSCZSA-N
MW294.40 g/mol
LogP3.84
Rot. Bonds4

About (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide

(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide (PubChem CID 5349952) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide
PubChem CID5349952
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide
SMILESCC1CCCCC1NC(=O)/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C19H22N2O/c1-15-8-5-6-13-18(15)21-19(22)17(14-20)12-7-11-16-9-3-2-4-10-16/h2-4,7,9-12,15,18H,5-6,8,13H2,1H3,(H,21,22)/b11-7+,17-12+
InChIKeyNLYCLZBPTYRQHO-RMXCOSCZSA-N
XLogP3.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(E)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-3-phenylprop-2-enamide
CID 7515644
2-cyano-5-(2-methoxyphenyl)-N-(2-methylcyclohexyl)penta-2,4-dienamide
CID 3994867
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
(E)-3-(3-bromophenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide
CID 8003624
(E)-2-cyano-3-(3-fluorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 2713060
(E)-2-cyano-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7515651
(E)-3-(4-chlorophenyl)-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275638
(E)-2-cyano-N-[(1R,2S)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7040869
(E)-3-(4-chlorophenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide
CID 7275640
(E)-2-cyano-N-[(1R,2R)-2-methylcyclohexyl]-3-pyridin-4-ylprop-2-enamide
CID 7481059
(2E,4E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-5-phenylpenta-2,4-dienamide
CID 6181558

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide (CID 5349952) is (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide is CC1CCCCC1NC(=O)/C(C#N)=C/C=C/c1ccccc1.
What is the InChIKey of (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide?
The InChIKey is NLYCLZBPTYRQHO-RMXCOSCZSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-8-5-6-13-18(15)21-19(22)17(14-20)12-7-11-16-9-3-2-4-10-16/h2-4,7,9-12,15,18H,5-6,8,13H2,1H3,(H,21,22)/b11-7+,17-12+.
What are the key properties of (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide?
(2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide has a molecular weight of 294.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-cyano-N-(2-methylcyclohexyl)-5-phenylpenta-2,4-dienamide is sourced from PubChem (CID 5349952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).