N-cyclohexylhexa-2,4-dienamide

C12H19NO — CID 71382981

IUPACN-cyclohexylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCCCC1
InChIInChI=1S/C12H19NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,13,14)
InChIKeyVDWNTMUXLHTMFI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds3

About N-cyclohexylhexa-2,4-dienamide

N-cyclohexylhexa-2,4-dienamide (PubChem CID 71382981) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-cyclohexylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-cyclohexylhexa-2,4-dienamide
PubChem CID71382981
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-cyclohexylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC1CCCCC1
InChIInChI=1S/C12H19NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,13,14)
InChIKeyVDWNTMUXLHTMFI-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
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'}

Analyze N-cyclohexylhexa-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylcyclohexyl)hexa-2,4-dienamide
CID 72689142
(Z)-N,N'-dicyclohexylbut-2-enediamide
CID 139188308
N-(thiolan-3-yl)hexa-2,4-dienamide
CID 131236586
(E)-N-cyclohexyl-2-hydroxypent-3-enamide
CID 130015263
2-cyclohexyl-2-[[(2E,4E)-hexa-2,4-dienoyl]amino]acetic acid
CID 54901724
N-cyclohexyl-3-cyclopentylprop-2-enamide
CID 141179456
(E)-N-cyclohexyl-3-methyl-4-oxopent-2-enamide
CID 10878394
N-cycloheptyl-3-methylbut-2-enamide
CID 51109528
N-(2-methylpiperidin-3-yl)hexa-2,4-dienamide
CID 104941383
N-cyclodecylprop-2-enamide
CID 18400354
(E)-N-cyclohexyl-4,4-dimethylhex-2-enamide
CID 166823863
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylhexa-2,4-dienamide?
The IUPAC name of N-cyclohexylhexa-2,4-dienamide (CID 71382981) is N-cyclohexylhexa-2,4-dienamide.
What is the SMILES notation for N-cyclohexylhexa-2,4-dienamide?
The canonical SMILES for N-cyclohexylhexa-2,4-dienamide is CC=CC=CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexylhexa-2,4-dienamide?
The InChIKey is VDWNTMUXLHTMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-5-10-12(14)13-11-8-6-4-7-9-11/h2-3,5,10-11H,4,6-9H2,1H3,(H,13,14).
What are the key properties of N-cyclohexylhexa-2,4-dienamide?
N-cyclohexylhexa-2,4-dienamide has a molecular weight of 193.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylhexa-2,4-dienamide is sourced from PubChem (CID 71382981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).