3-amino-N-cyclohexyl-5-methylbenzamide

C14H20N2O — CID 113396098

IUPAC3-amino-N-cyclohexyl-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H20N2O/c1-10-7-11(9-12(15)8-10)14(17)16-13-5-3-2-4-6-13/h7-9,13H,2-6,15H2,1H3,(H,16,17)
InChIKeyIBKFDZXUKFXYPQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds2

About 3-amino-N-cyclohexyl-5-methylbenzamide

3-amino-N-cyclohexyl-5-methylbenzamide (PubChem CID 113396098) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-5-methylbenzamide
PubChem CID113396098
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-cyclohexyl-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H20N2O/c1-10-7-11(9-12(15)8-10)14(17)16-13-5-3-2-4-6-13/h7-9,13H,2-6,15H2,1H3,(H,16,17)
InChIKeyIBKFDZXUKFXYPQ-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
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

3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
N-cyclooctyl-3-methylbenzamide
CID 966011
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclooctyl-4-methylbenzamide
CID 3995245
(3-amino-5-methylphenyl)-cyclopentylmethanone
CID 130689709
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-5-methylbenzamide?
The IUPAC name of 3-amino-N-cyclohexyl-5-methylbenzamide (CID 113396098) is 3-amino-N-cyclohexyl-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-5-methylbenzamide?
The canonical SMILES for 3-amino-N-cyclohexyl-5-methylbenzamide is Cc1cc(N)cc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-amino-N-cyclohexyl-5-methylbenzamide?
The InChIKey is IBKFDZXUKFXYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-7-11(9-12(15)8-10)14(17)16-13-5-3-2-4-6-13/h7-9,13H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-cyclohexyl-5-methylbenzamide?
3-amino-N-cyclohexyl-5-methylbenzamide has a molecular weight of 232.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-5-methylbenzamide is sourced from PubChem (CID 113396098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).