3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride

C17H21ClN2O — CID 119671192

IUPAC3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2O.ClH/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16;/h1-2,4-6,9-10,13-14H,3,7-8,11,18H2,(H,19,20);1H
InChIKeyISOZLSVZEODDKN-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.72
Rot. Bonds2

About 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119671192) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119671192
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2O.ClH/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16;/h1-2,4-6,9-10,13-14H,3,7-8,11,18H2,(H,19,20);1H
InChIKeyISOZLSVZEODDKN-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63042139
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CID 119740865
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CID 63044143
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
N-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]-4-tert-butylbenzamide;hydrochloride
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3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
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CID 18073022
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride (CID 119671192) is 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ISOZLSVZEODDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c18-14-8-3-7-13(11-14)17(20)19-16-10-4-6-12-5-1-2-9-15(12)16;/h1-2,4-6,9-10,13-14H,3,7-8,11,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119671192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).