3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide

C14H20N2O2 — CID 58736495

IUPAC3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1O)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)14(18)11-8-5-9-12(15)13(11)17/h5,8-10,17H,2-4,6-7,15H2,1H3
InChIKeyWLERMIYRDMKOEK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds2

About 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide

3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide (PubChem CID 58736495) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
PubChem CID58736495
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cccc(N)c1O)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)14(18)11-8-5-9-12(15)13(11)17/h5,8-10,17H,2-4,6-7,15H2,1H3
InChIKeyWLERMIYRDMKOEK-UHFFFAOYSA-N
XLogP2.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
3-amino-N-cyclohexyl-2-hydroxy-N-methoxybenzamide
CID 89098947
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-(2-aminophenyl)sulfanyl-N-cyclopentyl-N-methylbenzamide
CID 166391273
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
N-(azepan-4-yl)-2,3-dihydroxy-N-methylbenzamide
CID 107172531
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
2-amino-N-cyclopentyl-N,5-dimethylbenzamide
CID 62509333
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide (CID 58736495) is 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide is CN(C(=O)c1cccc(N)c1O)C1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide?
The InChIKey is WLERMIYRDMKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(10-6-3-2-4-7-10)14(18)11-8-5-9-12(15)13(11)17/h5,8-10,17H,2-4,6-7,15H2,1H3.
What are the key properties of 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide?
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 58736495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).