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

C16H25ClN2O3 — CID 119293242

IUPAC1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(O)CNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-21-13-7-5-12(6-8-13)14(19)11-18-15(20)16(17)9-3-2-4-10-16;/h5-8,14,19H,2-4,9-11,17H2,1H3,(H,18,20);1H
InChIKeyYGLNSCDUEFHHBV-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.93
Rot. Bonds5

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

1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119293242) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119293242
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(C(O)CNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-21-13-7-5-12(6-8-13)14(19)11-18-15(20)16(17)9-3-2-4-10-16;/h5-8,14,19H,2-4,9-11,17H2,1H3,(H,18,20);1H
InChIKeyYGLNSCDUEFHHBV-UHFFFAOYSA-N
XLogP1.93
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119281081
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CID 43500059
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
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[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
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1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
1-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334765
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 111829496
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119293242) is 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is COc1ccc(C(O)CNC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YGLNSCDUEFHHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-21-13-7-5-12(6-8-13)14(19)11-18-15(20)16(17)9-3-2-4-10-16;/h5-8,14,19H,2-4,9-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119293242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).