9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H31ClN2O2 — CID 120985425

IUPAC9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CCCC2NC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-25-17-8-9-18-13(12-17)4-3-7-19(18)23-21(24)16-10-14-5-2-6-15(11-16)20(14)22;/h8-9,12,14-16,19-20H,2-7,10-11,22H2,1H3,(H,23,24);1H
InChIKeyBPSJWGTZVXVFTA-UHFFFAOYSA-N
MW378.94 g/mol
LogP3.76
Rot. Bonds3

About 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120985425) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120985425
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)CCCC2NC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-25-17-8-9-18-13(12-17)4-3-7-19(18)23-21(24)16-10-14-5-2-6-15(11-16)20(14)22;/h8-9,12,14-16,19-20H,2-7,10-11,22H2,1H3,(H,23,24);1H
InChIKeyBPSJWGTZVXVFTA-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
(3R)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 99970575
(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118366
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
(2R)-2-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119289450
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119760687
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363
(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 125072549
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 133189561
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120985425) is 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is COc1ccc2c(c1)CCCC2NC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is BPSJWGTZVXVFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.ClH/c1-25-17-8-9-18-13(12-17)4-3-7-19(18)23-21(24)16-10-14-5-2-6-15(11-16)20(14)22;/h8-9,12,14-16,19-20H,2-7,10-11,22H2,1H3,(H,23,24);1H.
What are the key properties of 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 378.94 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120985425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).