5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide

C15H22N2O2 — CID 102704817

IUPAC5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCC(O)CC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-9-7-10(2)14(16)8-13(9)15(19)17-11-3-5-12(18)6-4-11/h7-8,11-12,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyKIUNWDZHLHUUBD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds2

About 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide

5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide (PubChem CID 102704817) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
PubChem CID102704817
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCC(O)CC2)cc1N
InChIInChI=1S/C15H22N2O2/c1-9-7-10(2)14(16)8-13(9)15(19)17-11-3-5-12(18)6-4-11/h7-8,11-12,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyKIUNWDZHLHUUBD-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705738
5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102705498
5-amino-N-(1,1-dioxothiolan-3-yl)-2,4-dimethylbenzamide
CID 102704893
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
2-amino-5-bromo-N-(4-hydroxycyclohexyl)benzamide
CID 75465077
2-amino-5-bromo-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 114194050
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
5-bromo-N-(4-hydroxycyclohexyl)-3-methylfuran-2-carboxamide
CID 47242145
2-fluoro-N-(4-hydroxycyclohexyl)-5-methylbenzamide
CID 62508927

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide (CID 102704817) is 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NC2CCC(O)CC2)cc1N.
What is the InChIKey of 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide?
The InChIKey is KIUNWDZHLHUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-7-10(2)14(16)8-13(9)15(19)17-11-3-5-12(18)6-4-11/h7-8,11-12,18H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide?
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102704817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).