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

C17H20N2O — CID 63042139

IUPAC3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2O/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)
InChIKeyALMQQOHBPUBUMN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.30
Rot. Bonds2

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

3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide (PubChem CID 63042139) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
PubChem CID63042139
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C17H20N2O/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)
InChIKeyALMQQOHBPUBUMN-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 55146162
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119740865
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
3-amino-N-[2-(trifluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119706959
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 119782681

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide (CID 63042139) is 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide?
The InChIKey is ALMQQOHBPUBUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/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).
What are the key properties of 3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide?
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.30, 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 is sourced from PubChem (CID 63042139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).