4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide

C16H24N2O — CID 16785407

IUPAC4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)ccc1N
InChIInChI=1S/C16H24N2O/c1-10-5-4-6-15(12(10)3)18-16(19)13-7-8-14(17)11(2)9-13/h7-10,12,15H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyFQWBKNHESXFERL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.13
Rot. Bonds2

About 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide

4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide (PubChem CID 16785407) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
PubChem CID16785407
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC(C)C2C)ccc1N
InChIInChI=1S/C16H24N2O/c1-10-5-4-6-15(12(10)3)18-16(19)13-7-8-14(17)11(2)9-13/h7-10,12,15H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyFQWBKNHESXFERL-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 30117194
N-(2,3-dimethylcyclohexyl)-4-hydrazinyl-3-methylbenzamide
CID 63211656
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-carboxamide
CID 62156414
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
4-amino-N-(2-tert-butylcyclohexyl)-3-methylbenzamide
CID 43699383
4-hydroxy-3-methyl-N-(2-methylcyclopentyl)benzamide
CID 113358322
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 43712748
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide (CID 16785407) is 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC(C)C2C)ccc1N.
What is the InChIKey of 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide?
The InChIKey is FQWBKNHESXFERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-5-4-6-15(12(10)3)18-16(19)13-7-8-14(17)11(2)9-13/h7-10,12,15H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide?
4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dimethylcyclohexyl)-3-methylbenzamide is sourced from PubChem (CID 16785407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).