3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride

C20H31ClN2O — CID 119773377

IUPAC3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NC2CCCCC2Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O.ClH/c21-18-11-6-10-17(14-18)20(23)22-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15;/h1-3,7-8,16-19H,4-6,9-14,21H2,(H,22,23);1H
InChIKeyXMSWWECHPJHURS-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.84
Rot. Bonds4

About 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119773377) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119773377
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NC2CCCCC2Cc2ccccc2)C1
InChIInChI=1S/C20H30N2O.ClH/c21-18-11-6-10-17(14-18)20(23)22-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15;/h1-3,7-8,16-19H,4-6,9-14,21H2,(H,22,23);1H
InChIKeyXMSWWECHPJHURS-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride (CID 119773377) is 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NC2CCCCC2Cc2ccccc2)C1.
What is the InChIKey of 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XMSWWECHPJHURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c21-18-11-6-10-17(14-18)20(23)22-19-12-5-4-9-16(19)13-15-7-2-1-3-8-15;/h1-3,7-8,16-19H,4-6,9-14,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.84, 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-benzylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119773377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).