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

C15H22N2O2 — CID 102705498

IUPAC5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCCCC2O)cc1N
InChIInChI=1S/C15H22N2O2/c1-9-7-10(2)12(16)8-11(9)15(19)17-13-5-3-4-6-14(13)18/h7-8,13-14,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyWZAWYYAADMXBBH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.92
Rot. Bonds2

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

5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide (PubChem CID 102705498) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
PubChem CID102705498
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NC2CCCCC2O)cc1N
InChIInChI=1S/C15H22N2O2/c1-9-7-10(2)12(16)8-11(9)15(19)17-13-5-3-4-6-14(13)18/h7-8,13-14,18H,3-6,16H2,1-2H3,(H,17,19)
InChIKeyWZAWYYAADMXBBH-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'}

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Related Compounds

5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzamide
CID 104956752
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
2-amino-5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dimethylbenzamide
CID 135309339
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzamide
CID 107211262
2-amino-4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107221910
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
5-amino-2-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 62365234
4-amino-3-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 107221679
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide (CID 102705498) is 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NC2CCCCC2O)cc1N.
What is the InChIKey of 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide?
The InChIKey is WZAWYYAADMXBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-7-10(2)12(16)8-11(9)15(19)17-13-5-3-4-6-14(13)18/h7-8,13-14,18H,3-6,16H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide?
5-amino-N-(2-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-(2-hydroxycyclohexyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 102705498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).