N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide

C18H28N2O — CID 6057189

IUPACN-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(/C=C(\C#N)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H28N2O/c1-13-3-7-16(8-4-13)17(12-19)11-15-5-9-18(10-6-15)20-14(2)21/h11,13,15-16,18H,3-10H2,1-2H3,(H,20,21)/b17-11+
InChIKeyVWEYHRQOXPEOSV-GZTJUZNOSA-N
MW288.44 g/mol
LogP3.96
Rot. Bonds3

About N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide

N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide (PubChem CID 6057189) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide
PubChem CID6057189
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(/C=C(\C#N)C2CCC(C)CC2)CC1
InChIInChI=1S/C18H28N2O/c1-13-3-7-16(8-4-13)17(12-19)11-15-5-9-18(10-6-15)20-14(2)21/h11,13,15-16,18H,3-10H2,1-2H3,(H,20,21)/b17-11+
InChIKeyVWEYHRQOXPEOSV-GZTJUZNOSA-N
XLogP3.96
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide (CID 6057189) is N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide is CC(=O)NC1CCC(/C=C(\C#N)C2CCC(C)CC2)CC1.
What is the InChIKey of N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide?
The InChIKey is VWEYHRQOXPEOSV-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-3-7-16(8-4-13)17(12-19)11-15-5-9-18(10-6-15)20-14(2)21/h11,13,15-16,18H,3-10H2,1-2H3,(H,20,21)/b17-11+.
What are the key properties of N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide?
N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-cyano-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]acetamide is sourced from PubChem (CID 6057189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).