N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C18H23NO2 — CID 17434309

IUPACN-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1C
InChIInChI=1S/C18H23NO2/c1-11-6-7-16(8-12(11)2)19-18(21)15-9-13-4-3-5-14(10-15)17(13)20/h6-8,13-15H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyAWTRJMIZDOJXNX-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds2

About N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 17434309) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID17434309
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1C
InChIInChI=1S/C18H23NO2/c1-11-6-7-16(8-12(11)2)19-18(21)15-9-13-4-3-5-14(10-15)17(13)20/h6-8,13-15H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyAWTRJMIZDOJXNX-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
(1R,5S)-N-(2,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8702374
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
(1R,5R)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802951
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(1R,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98398540
(1S,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51451511
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 17434309) is N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is Cc1ccc(NC(=O)C2CC3CCCC(C2)C3=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is AWTRJMIZDOJXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-6-7-16(8-12(11)2)19-18(21)15-9-13-4-3-5-14(10-15)17(13)20/h6-8,13-15H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 17434309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).