9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H27ClN2O2 — CID 120988721

IUPAC9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CC3CCCC(C2)C3N)c(C)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-11-8-15(22-2)6-7-16(11)20-18(21)14-9-12-4-3-5-13(10-14)17(12)19;/h6-8,12-14,17H,3-5,9-10,19H2,1-2H3,(H,20,21);1H
InChIKeyNUVAXCYFXPGCJP-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.52
Rot. Bonds3

About 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120988721) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120988721
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2CC3CCCC(C2)C3N)c(C)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-11-8-15(22-2)6-7-16(11)20-18(21)14-9-12-4-3-5-13(10-14)17(12)19;/h6-8,12-14,17H,3-5,9-10,19H2,1-2H3,(H,20,21);1H
InChIKeyNUVAXCYFXPGCJP-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120983348
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984318
9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985157
9-amino-N-(3-bromo-2-hydroxy-5-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994159
9-amino-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985425
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993419
9-amino-N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989651
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120993956

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120988721) is 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is COc1ccc(NC(=O)C2CC3CCCC(C2)C3N)c(C)c1.Cl.
What is the InChIKey of 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is NUVAXCYFXPGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-11-8-15(22-2)6-7-16(11)20-18(21)14-9-12-4-3-5-13(10-14)17(12)19;/h6-8,12-14,17H,3-5,9-10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120988721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).