1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride

C19H25ClN2O2 — CID 119281081

IUPAC1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C19H24N2O2.ClH/c20-19(10-4-1-5-11-19)18(23)21-13-17(22)16-9-8-14-6-2-3-7-15(14)12-16;/h2-3,6-9,12,17,22H,1,4-5,10-11,13,20H2,(H,21,23);1H
InChIKeyOQUCXCJCUPQFDS-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.07
Rot. Bonds4

About 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119281081) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119281081
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C19H24N2O2.ClH/c20-19(10-4-1-5-11-19)18(23)21-13-17(22)16-9-8-14-6-2-3-7-15(14)12-16;/h2-3,6-9,12,17,22H,1,4-5,10-11,13,20H2,(H,21,23);1H
InChIKeyOQUCXCJCUPQFDS-UHFFFAOYSA-N
XLogP3.07
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
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CID 119293242
methyl 2-[[(1-aminocyclohexanecarbonyl)amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325168
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
2-[(1-methylcyclopentyl)methylamino]-1-naphthalen-2-ylethanol
CID 63823137

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119281081) is 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC(O)c2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OQUCXCJCUPQFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c20-19(10-4-1-5-11-19)18(23)21-13-17(22)16-9-8-14-6-2-3-7-15(14)12-16;/h2-3,6-9,12,17,22H,1,4-5,10-11,13,20H2,(H,21,23);1H.
What are the key properties of 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119281081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).