9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide

C16H19NO2 — CID 2997747

IUPAC9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C16H19NO2/c18-15-11-5-4-6-12(15)10-13(9-11)16(19)17-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H,17,19)
InChIKeyZAEQNTFNLMGYEI-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.02
Rot. Bonds2

About 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide

9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 2997747) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID2997747
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C16H19NO2/c18-15-11-5-4-6-12(15)10-13(9-11)16(19)17-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H,17,19)
InChIKeyZAEQNTFNLMGYEI-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
(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
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 2898045

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide (CID 2997747) is 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccccc1)C1CC2CCCC(C1)C2=O.
What is the InChIKey of 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ZAEQNTFNLMGYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-11-5-4-6-12(15)10-13(9-11)16(19)17-14-7-2-1-3-8-14/h1-3,7-8,11-13H,4-6,9-10H2,(H,17,19).
What are the key properties of 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide?
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 2997747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).