1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

C17H27ClN2O — CID 119310374

IUPAC1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCc1ccc(CCNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-14-6-8-15(9-7-14)10-13-19-16(20)17(18)11-4-3-5-12-17;/h6-9H,2-5,10-13,18H2,1H3,(H,19,20);1H
InChIKeyWCDZJJZUUGOQPG-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.99
Rot. Bonds5

About 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119310374) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119310374
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCc1ccc(CCNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-14-6-8-15(9-7-14)10-13-19-16(20)17(18)11-4-3-5-12-17;/h6-9H,2-5,10-13,18H2,1H3,(H,19,20);1H
InChIKeyWCDZJJZUUGOQPG-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
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ethyl 2-[4-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]phenoxy]acetate
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CID 81172071
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
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CID 119292835
3-[2-[(1-aminocyclohexanecarbonyl)amino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119310374) is 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is CCc1ccc(CCNC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WCDZJJZUUGOQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-2-14-6-8-15(9-7-14)10-13-19-16(20)17(18)11-4-3-5-12-17;/h6-9H,2-5,10-13,18H2,1H3,(H,19,20);1H.
What are the key properties of 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119310374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).