3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C15H23ClN2O2 — CID 119708471

IUPAC3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1cccc(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-14-8-4-7-13(10-14)17-15(18)11-5-3-6-12(16)9-11;/h4,7-8,10-12H,2-3,5-6,9,16H2,1H3,(H,17,18);1H
InChIKeyXLKPPTUXXKCPLJ-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.96
Rot. Bonds4

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

3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119708471) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119708471
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1cccc(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-14-8-4-7-13(10-14)17-15(18)11-5-3-6-12(16)9-11;/h4,7-8,10-12H,2-3,5-6,9,16H2,1H3,(H,17,18);1H
InChIKeyXLKPPTUXXKCPLJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
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CID 63044900
3-amino-N-[3-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide
CID 63044296
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-(3-pyridin-2-yloxyphenyl)cyclohexane-1-carboxamide
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3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713843
3-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119785191
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
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3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119708471) is 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is CCOc1cccc(NC(=O)C2CCCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is XLKPPTUXXKCPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-2-19-14-8-4-7-13(10-14)17-15(18)11-5-3-6-12(16)9-11;/h4,7-8,10-12H,2-3,5-6,9,16H2,1H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119708471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).