N-(4-methylcyclohexyl)hexa-2,4-dienamide

C13H21NO — CID 72689142

IUPACN-(4-methylcyclohexyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-13(15)14-12-9-7-11(2)8-10-12/h3-6,11-12H,7-10H2,1-2H3,(H,14,15)
InChIKeySJNCPEVAVPRWRT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds3

About N-(4-methylcyclohexyl)hexa-2,4-dienamide

N-(4-methylcyclohexyl)hexa-2,4-dienamide (PubChem CID 72689142) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)hexa-2,4-dienamide
PubChem CID72689142
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(4-methylcyclohexyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCC(C)CC1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-13(15)14-12-9-7-11(2)8-10-12/h3-6,11-12H,7-10H2,1-2H3,(H,14,15)
InChIKeySJNCPEVAVPRWRT-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylhexa-2,4-dienamide
CID 71382981
N-(thiolan-3-yl)hexa-2,4-dienamide
CID 131236586
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
4-(hexa-2,4-dienoylamino)oxolane-3-carboxylic acid
CID 77115073
N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
CID 104941383
N-[2-(cyclopropylamino)ethyl]hexa-2,4-dienamide
CID 76948154
(2E,4E)-N-[(3R)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]hexa-2,4-dienamide
CID 129449704
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26877417
N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide
CID 142231611
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)hexa-2,4-dienamide?
The IUPAC name of N-(4-methylcyclohexyl)hexa-2,4-dienamide (CID 72689142) is N-(4-methylcyclohexyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-methylcyclohexyl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-methylcyclohexyl)hexa-2,4-dienamide is CC=CC=CC(=O)NC1CCC(C)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)hexa-2,4-dienamide?
The InChIKey is SJNCPEVAVPRWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-6-13(15)14-12-9-7-11(2)8-10-12/h3-6,11-12H,7-10H2,1-2H3,(H,14,15).
What are the key properties of N-(4-methylcyclohexyl)hexa-2,4-dienamide?
N-(4-methylcyclohexyl)hexa-2,4-dienamide has a molecular weight of 207.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)hexa-2,4-dienamide is sourced from PubChem (CID 72689142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).