N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide

C15H23NO — CID 70944232

IUPACN-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1(C)C=CC(C(=O)NC2CCCCC2)=CC1
InChIInChI=1S/C15H23NO/c1-15(2)10-8-12(9-11-15)14(17)16-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,16,17)
InChIKeyBRYYDIBRGPULDI-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.35
Rot. Bonds2

About N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide

N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 70944232) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide
PubChem CID70944232
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide
SMILESCC1(C)C=CC(C(=O)NC2CCCCC2)=CC1
InChIInChI=1S/C15H23NO/c1-15(2)10-8-12(9-11-15)14(17)16-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,16,17)
InChIKeyBRYYDIBRGPULDI-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide (CID 70944232) is N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide is CC1(C)C=CC(C(=O)NC2CCCCC2)=CC1.
What is the InChIKey of N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is BRYYDIBRGPULDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2)10-8-12(9-11-15)14(17)16-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,16,17).
What are the key properties of N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide?
N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 233.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,4-dimethylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 70944232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).