9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C20H30N2O — CID 120990611

IUPAC9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(C)cc(CCNC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C20H30N2O/c1-13-8-14(2)10-15(9-13)6-7-22-20(23)18-11-16-4-3-5-17(12-18)19(16)21/h8-10,16-19H,3-7,11-12,21H2,1-2H3,(H,22,23)
InChIKeyACRYOQIJAAQOGD-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.12
Rot. Bonds4

About 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120990611) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120990611
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(C)cc(CCNC(=O)C2CC3CCCC(C2)C3N)c1
InChIInChI=1S/C20H30N2O/c1-13-8-14(2)10-15(9-13)6-7-22-20(23)18-11-16-4-3-5-17(12-18)19(16)21/h8-10,16-19H,3-7,11-12,21H2,1-2H3,(H,22,23)
InChIKeyACRYOQIJAAQOGD-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724
3-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119800089
9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986416
methyl 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 120984703
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
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-[4-(2-methylpropoxy)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989295
9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988428
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120990611) is 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is Cc1cc(C)cc(CCNC(=O)C2CC3CCCC(C2)C3N)c1.
What is the InChIKey of 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ACRYOQIJAAQOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-13-8-14(2)10-15(9-13)6-7-22-20(23)18-11-16-4-3-5-17(12-18)19(16)21/h8-10,16-19H,3-7,11-12,21H2,1-2H3,(H,22,23).
What are the key properties of 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120990611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).