N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide

C13H21NO2 — CID 102635038

IUPACN-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C13H21NO2/c1-3-4-5-10-13(16)14(2)11-8-6-7-9-12(11)15/h3-5,10-12,15H,6-9H2,1-2H3
InChIKeyNPIWCSWOXMITIK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide

N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide (PubChem CID 102635038) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide
PubChem CID102635038
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide
SMILESCC=CC=CC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C13H21NO2/c1-3-4-5-10-13(16)14(2)11-8-6-7-9-12(11)15/h3-5,10-12,15H,6-9H2,1-2H3
InChIKeyNPIWCSWOXMITIK-UHFFFAOYSA-N
XLogP1.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide (CID 102635038) is N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide is CC=CC=CC(=O)N(C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide?
The InChIKey is NPIWCSWOXMITIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-4-5-10-13(16)14(2)11-8-6-7-9-12(11)15/h3-5,10-12,15H,6-9H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide?
N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide has a molecular weight of 223.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methylhexa-2,4-dienamide is sourced from PubChem (CID 102635038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).