9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H30Cl2N2O — CID 120988953

IUPAC9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CC2CCCC(C1)C2N)c1ccccc1Cl.Cl
InChIInChI=1S/C20H29ClN2O.ClH/c1-20(2,16-8-3-4-9-17(16)21)12-23-19(24)15-10-13-6-5-7-14(11-15)18(13)22;/h3-4,8-9,13-15,18H,5-7,10-12,22H2,1-2H3,(H,23,24);1H
InChIKeyOBYARVGYGVTUHU-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.31
Rot. Bonds4

About 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120988953) has the molecular formula C20H30Cl2N2O and a molecular weight of 385.38 g/mol. Its IUPAC name is 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120988953
Molecular FormulaC20H30Cl2N2O
Molecular Weight385.38 g/mol
Exact Mass384.17
IUPAC Name9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CC2CCCC(C1)C2N)c1ccccc1Cl.Cl
InChIInChI=1S/C20H29ClN2O.ClH/c1-20(2,16-8-3-4-9-17(16)21)12-23-19(24)15-10-13-6-5-7-14(11-15)18(13)22;/h3-4,8-9,13-15,18H,5-7,10-12,22H2,1-2H3,(H,23,24);1H
InChIKeyOBYARVGYGVTUHU-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987988
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
9-amino-N-(2-chloroprop-2-enyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990322
3-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopentane-1-carboxamide;hydrochloride
CID 119786045
9-amino-N-(3-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989687
9-amino-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986975
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120988953) is 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CC2CCCC(C1)C2N)c1ccccc1Cl.Cl.
What is the InChIKey of 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is OBYARVGYGVTUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O.ClH/c1-20(2,16-8-3-4-9-17(16)21)12-23-19(24)15-10-13-6-5-7-14(11-15)18(13)22;/h3-4,8-9,13-15,18H,5-7,10-12,22H2,1-2H3,(H,23,24);1H.
What are the key properties of 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 385.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).