2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide

C16H24N2O2 — CID 81420602

IUPAC2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C16H24N2O2/c1-10-7-8-13(11(2)9-10)18-16(19)15-12(17)5-4-6-14(15)20-3/h4-6,10-11,13H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyUVMXHDMTAOAGEB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide

2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide (PubChem CID 81420602) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide
PubChem CID81420602
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide
SMILESCOc1cccc(N)c1C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C16H24N2O2/c1-10-7-8-13(11(2)9-10)18-16(19)15-12(17)5-4-6-14(15)20-3/h4-6,10-11,13H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyUVMXHDMTAOAGEB-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
CID 81395055
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
CID 64909917
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-2-carboxylic acid
CID 63997792
methyl 2-amino-6-(3,4-dimethylcyclohexyl)oxybenzoate
CID 107341742
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
4-carbamothioyl-N-(2,4-dimethylcyclohexyl)benzamide
CID 63999184

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide (CID 81420602) is 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide is COc1cccc(N)c1C(=O)NC1CCC(C)CC1C.
What is the InChIKey of 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide?
The InChIKey is UVMXHDMTAOAGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-7-8-13(11(2)9-10)18-16(19)15-12(17)5-4-6-14(15)20-3/h4-6,10-11,13H,7-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide?
2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide is sourced from PubChem (CID 81420602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).