9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C21H31N3O2 — CID 120990795

IUPAC9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C)C(=O)c1cccc(CCNC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C21H31N3O2/c1-24(2)21(26)17-8-3-5-14(11-17)9-10-23-20(25)18-12-15-6-4-7-16(13-18)19(15)22/h3,5,8,11,15-16,18-19H,4,6-7,9-10,12-13,22H2,1-2H3,(H,23,25)
InChIKeyPOLTWRMRXWMQLO-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.20
Rot. Bonds5

About 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990795) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990795
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C)C(=O)c1cccc(CCNC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C21H31N3O2/c1-24(2)21(26)17-8-3-5-14(11-17)9-10-23-20(25)18-12-15-6-4-7-16(13-18)19(15)22/h3,5,8,11,15-16,18-19H,4,6-7,9-10,12-13,22H2,1-2H3,(H,23,25)
InChIKeyPOLTWRMRXWMQLO-UHFFFAOYSA-N
XLogP2.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
9-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983638
9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724
methyl 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 120984703
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567
3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 155496364
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989710
9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986416
9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988428

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120990795) is 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide is CN(C)C(=O)c1cccc(CCNC(=O)C2CC3CCCC(C2)C3N)c1.
What is the InChIKey of 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is POLTWRMRXWMQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-24(2)21(26)17-8-3-5-14(11-17)9-10-23-20(25)18-12-15-6-4-7-16(13-18)19(15)22/h3,5,8,11,15-16,18-19H,4,6-7,9-10,12-13,22H2,1-2H3,(H,23,25).
What are the key properties of 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).