9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C23H35ClN2O2 — CID 120987145

IUPAC9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-27-20-10-3-2-9-19(20)23(11-4-5-12-23)15-25-22(26)18-13-16-7-6-8-17(14-18)21(16)24;/h2-3,9-10,16-18,21H,4-8,11-15,24H2,1H3,(H,25,26);1H
InChIKeyQMNFPUJJAGBOSY-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.20
Rot. Bonds5

About 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120987145) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120987145
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-27-20-10-3-2-9-19(20)23(11-4-5-12-23)15-25-22(26)18-13-16-7-6-8-17(14-18)21(16)24;/h2-3,9-10,16-18,21H,4-8,11-15,24H2,1H3,(H,25,26);1H
InChIKeyQMNFPUJJAGBOSY-UHFFFAOYSA-N
XLogP4.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987365
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
9-amino-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985305
4-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 119747052
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119302310
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
1-[(2-hydroxycyclopentyl)methyl]-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea
CID 71868395
1-cyclobutyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-1-methylurea
CID 84585180
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120987145) is 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is COc1ccccc1C1(CNC(=O)C2CC3CCCC(C2)C3N)CCCC1.Cl.
What is the InChIKey of 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is QMNFPUJJAGBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2.ClH/c1-27-20-10-3-2-9-19(20)23(11-4-5-12-23)15-25-22(26)18-13-16-7-6-8-17(14-18)21(16)24;/h2-3,9-10,16-18,21H,4-8,11-15,24H2,1H3,(H,25,26);1H.
What are the key properties of 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 407.00 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120987145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).