1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C16H24ClNO — CID 141176287

IUPAC1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc([C@H](C)C2(C(N)=O)CCCCC2)cc1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12-6-8-14(9-7-12)13(2)16(15(17)18)10-4-3-5-11-16;/h6-9,13H,3-5,10-11H2,1-2H3,(H2,17,18);1H/t13-;/m0./s1
InChIKeyYWENVYRMJBZLDK-ZOWNYOTGSA-N
MW281.83 g/mol
LogP3.96
Rot. Bonds3

About 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 141176287) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID141176287
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc([C@H](C)C2(C(N)=O)CCCCC2)cc1.Cl
InChIInChI=1S/C16H23NO.ClH/c1-12-6-8-14(9-7-12)13(2)16(15(17)18)10-4-3-5-11-16;/h6-9,13H,3-5,10-11H2,1-2H3,(H2,17,18);1H/t13-;/m0./s1
InChIKeyYWENVYRMJBZLDK-ZOWNYOTGSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 141176287) is 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is Cc1ccc([C@H](C)C2(C(N)=O)CCCCC2)cc1.Cl.
What is the InChIKey of 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YWENVYRMJBZLDK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H23NO.ClH/c1-12-6-8-14(9-7-12)13(2)16(15(17)18)10-4-3-5-11-16;/h6-9,13H,3-5,10-11H2,1-2H3,(H2,17,18);1H/t13-;/m0./s1.
What are the key properties of 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 141176287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).