9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H31ClN2O2 — CID 120985157

IUPAC9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)C2CC3CCCC(C2)C3N)C2CC2)cc1.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-25-18-9-7-14(8-10-18)20(13-5-6-13)23-21(24)17-11-15-3-2-4-16(12-17)19(15)22;/h7-10,13,15-17,19-20H,2-6,11-12,22H2,1H3,(H,23,24);1H
InChIKeyCFAPDLSDNSGGRE-UHFFFAOYSA-N
MW378.94 g/mol
LogP3.84
Rot. Bonds5

About 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120985157) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120985157
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC Name9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)C2CC3CCCC(C2)C3N)C2CC2)cc1.Cl
InChIInChI=1S/C21H30N2O2.ClH/c1-25-18-9-7-14(8-10-18)20(13-5-6-13)23-21(24)17-11-15-3-2-4-16(12-17)19(15)22;/h7-10,13,15-17,19-20H,2-6,11-12,22H2,1H3,(H,23,24);1H
InChIKeyCFAPDLSDNSGGRE-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697842
9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120993956
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692
(2S)-N-[cyclopropyl-(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 61253815
N-[cyclopropyl-(4-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 46449818
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
9-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984029

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120985157) is 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is COc1ccc(C(NC(=O)C2CC3CCCC(C2)C3N)C2CC2)cc1.Cl.
What is the InChIKey of 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is CFAPDLSDNSGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.ClH/c1-25-18-9-7-14(8-10-18)20(13-5-6-13)23-21(24)17-11-15-3-2-4-16(12-17)19(15)22;/h7-10,13,15-17,19-20H,2-6,11-12,22H2,1H3,(H,23,24);1H.
What are the key properties of 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 378.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120985157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).