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

C19H28Cl2N2O2 — CID 120991264

IUPAC9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CC2CCCC(C1)C2N)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-12(24-17-7-5-16(20)6-8-17)11-22-19(23)15-9-13-3-2-4-14(10-15)18(13)21;/h5-8,12-15,18H,2-4,9-11,21H2,1H3,(H,22,23);1H
InChIKeyRSYJOEIIKVQMGJ-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.80
Rot. Bonds5

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

9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120991264) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120991264
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CC2CCCC(C1)C2N)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H27ClN2O2.ClH/c1-12(24-17-7-5-16(20)6-8-17)11-22-19(23)15-9-13-3-2-4-14(10-15)18(13)21;/h5-8,12-15,18H,2-4,9-11,21H2,1H3,(H,22,23);1H
InChIKeyRSYJOEIIKVQMGJ-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991075
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
3-amino-N-[2-(4-methoxyphenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119725350
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
methyl 3-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-2-(4-methylphenyl)propanoate;hydrochloride
CID 120989335
9-amino-N-[(5-chloro-2-pyridinyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994031
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
9-amino-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989295

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120991264) is 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(CNC(=O)C1CC2CCCC(C1)C2N)Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is RSYJOEIIKVQMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2.ClH/c1-12(24-17-7-5-16(20)6-8-17)11-22-19(23)15-9-13-3-2-4-14(10-15)18(13)21;/h5-8,12-15,18H,2-4,9-11,21H2,1H3,(H,22,23);1H.
What are the key properties of 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 387.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(4-chlorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120991264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).