3-[(2,6-dimethylcyclohexyl)amino]benzamide

C15H22N2O — CID 43202843

IUPAC3-[(2,6-dimethylcyclohexyl)amino]benzamide
SMILESCC1CCCC(C)C1Nc1cccc(C(N)=O)c1
InChIInChI=1S/C15H22N2O/c1-10-5-3-6-11(2)14(10)17-13-8-4-7-12(9-13)15(16)18/h4,7-11,14,17H,3,5-6H2,1-2H3,(H2,16,18)
InChIKeyBYUUNQFCJWYVBD-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.02
Rot. Bonds3

About 3-[(2,6-dimethylcyclohexyl)amino]benzamide

3-[(2,6-dimethylcyclohexyl)amino]benzamide (PubChem CID 43202843) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(2,6-dimethylcyclohexyl)amino]benzamide.

Molecular Properties

Compound Name3-[(2,6-dimethylcyclohexyl)amino]benzamide
PubChem CID43202843
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(2,6-dimethylcyclohexyl)amino]benzamide
SMILESCC1CCCC(C)C1Nc1cccc(C(N)=O)c1
InChIInChI=1S/C15H22N2O/c1-10-5-3-6-11(2)14(10)17-13-8-4-7-12(9-13)15(16)18/h4,7-11,14,17H,3,5-6H2,1-2H3,(H2,16,18)
InChIKeyBYUUNQFCJWYVBD-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
N-(2,6-dimethylcyclohexyl)-3-iodoaniline
CID 43124617
3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81321097
3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
N-(2,6-dimethylcyclohexyl)-3-(trifluoromethyl)aniline
CID 43104879
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409
3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
3-(methylamino)benzamide
CID 18727714
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]benzamide?
The IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]benzamide (CID 43202843) is 3-[(2,6-dimethylcyclohexyl)amino]benzamide.
What is the SMILES notation for 3-[(2,6-dimethylcyclohexyl)amino]benzamide?
The canonical SMILES for 3-[(2,6-dimethylcyclohexyl)amino]benzamide is CC1CCCC(C)C1Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2,6-dimethylcyclohexyl)amino]benzamide?
The InChIKey is BYUUNQFCJWYVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-5-3-6-11(2)14(10)17-13-8-4-7-12(9-13)15(16)18/h4,7-11,14,17H,3,5-6H2,1-2H3,(H2,16,18).
What are the key properties of 3-[(2,6-dimethylcyclohexyl)amino]benzamide?
3-[(2,6-dimethylcyclohexyl)amino]benzamide has a molecular weight of 246.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylcyclohexyl)amino]benzamide is sourced from PubChem (CID 43202843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).