3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride

C16H25ClN2O — CID 119783133

IUPAC3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
SMILESCC1CCCC(CCNC(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-4-2-5-13(10-12)8-9-18-16(19)14-6-3-7-15(17)11-14;/h3,6-7,11-13H,2,4-5,8-10,17H2,1H3,(H,18,19);1H
InChIKeyCRFXOEGVAUFCRF-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.64
Rot. Bonds4

About 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride

3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride (PubChem CID 119783133) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
PubChem CID119783133
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
SMILESCC1CCCC(CCNC(=O)c2cccc(N)c2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-4-2-5-13(10-12)8-9-18-16(19)14-6-3-7-15(17)11-14;/h3,6-7,11-13H,2,4-5,8-10,17H2,1H3,(H,18,19);1H
InChIKeyCRFXOEGVAUFCRF-UHFFFAOYSA-N
XLogP3.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.64
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

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3-bromo-4-methyl-N-[2-(3-methylcyclohexyl)ethyl]benzamide
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3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
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3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
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3-amino-N-methyl-N-(3-methylcyclohexyl)benzamide;hydrochloride
CID 119717318
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
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CID 105070285

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride (CID 119783133) is 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride is CC1CCCC(CCNC(=O)c2cccc(N)c2)C1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride?
The InChIKey is CRFXOEGVAUFCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-4-2-5-13(10-12)8-9-18-16(19)14-6-3-7-15(17)11-14;/h3,6-7,11-13H,2,4-5,8-10,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride?
3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119783133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).