9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H30ClN3O2 — CID 120986134

IUPAC9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCNC(=O)c1cccc(CNC(=O)C2CC3CCCC(C2)C3N)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-2-22-19(24)16-8-3-5-13(9-16)12-23-20(25)17-10-14-6-4-7-15(11-17)18(14)21;/h3,5,8-9,14-15,17-18H,2,4,6-7,10-12,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyJVFZLPFUVDAHLS-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.63
Rot. Bonds5

About 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120986134) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120986134
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCNC(=O)c1cccc(CNC(=O)C2CC3CCCC(C2)C3N)c1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-2-22-19(24)16-8-3-5-13(9-16)12-23-20(25)17-10-14-6-4-7-15(11-17)18(14)21;/h3,5,8-9,14-15,17-18H,2,4,6-7,10-12,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyJVFZLPFUVDAHLS-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119295612
9-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986011
9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987099
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120986134) is 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCNC(=O)c1cccc(CNC(=O)C2CC3CCCC(C2)C3N)c1.Cl.
What is the InChIKey of 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is JVFZLPFUVDAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-2-22-19(24)16-8-3-5-13(9-16)12-23-20(25)17-10-14-6-4-7-15(11-17)18(14)21;/h3,5,8-9,14-15,17-18H,2,4,6-7,10-12,21H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120986134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).