2-(4,4-dimethylcyclohexen-1-yl)benzamide

C15H19NO — CID 68507659

IUPAC2-(4,4-dimethylcyclohexen-1-yl)benzamide
SMILESCC1(C)CC=C(c2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H19NO/c1-15(2)9-7-11(8-10-15)12-5-3-4-6-13(12)14(16)17/h3-7H,8-10H2,1-2H3,(H2,16,17)
InChIKeyATYCPJXJYSTYCI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.38
Rot. Bonds2

About 2-(4,4-dimethylcyclohexen-1-yl)benzamide

2-(4,4-dimethylcyclohexen-1-yl)benzamide (PubChem CID 68507659) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexen-1-yl)benzamide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexen-1-yl)benzamide
PubChem CID68507659
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(4,4-dimethylcyclohexen-1-yl)benzamide
SMILESCC1(C)CC=C(c2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H19NO/c1-15(2)9-7-11(8-10-15)12-5-3-4-6-13(12)14(16)17/h3-7H,8-10H2,1-2H3,(H2,16,17)
InChIKeyATYCPJXJYSTYCI-UHFFFAOYSA-N
XLogP3.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexen-1-yl)benzamide?
The IUPAC name of 2-(4,4-dimethylcyclohexen-1-yl)benzamide (CID 68507659) is 2-(4,4-dimethylcyclohexen-1-yl)benzamide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexen-1-yl)benzamide?
The canonical SMILES for 2-(4,4-dimethylcyclohexen-1-yl)benzamide is CC1(C)CC=C(c2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexen-1-yl)benzamide?
The InChIKey is ATYCPJXJYSTYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2)9-7-11(8-10-15)12-5-3-4-6-13(12)14(16)17/h3-7H,8-10H2,1-2H3,(H2,16,17).
What are the key properties of 2-(4,4-dimethylcyclohexen-1-yl)benzamide?
2-(4,4-dimethylcyclohexen-1-yl)benzamide has a molecular weight of 229.32 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexen-1-yl)benzamide is sourced from PubChem (CID 68507659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).