(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C18H23NO2 — CID 9097108

IUPAC(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1
InChIInChI=1S/C18H23NO2/c1-11-6-12(2)8-16(7-11)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)/t13-,14+,15?
InChIKeyDCBRUUDUAYUDAU-YIONKMFJSA-N
MW285.39 g/mol
LogP3.64
Rot. Bonds2

About (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 9097108) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID9097108
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1
InChIInChI=1S/C18H23NO2/c1-11-6-12(2)8-16(7-11)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)/t13-,14+,15?
InChIKeyDCBRUUDUAYUDAU-YIONKMFJSA-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

N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(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,5S)-N-(2,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8702374
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50986057
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673929
(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
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 50985806
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
(1S,5R)-N-(2-methoxy-5-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9098264

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 9097108) is (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is Cc1cc(C)cc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c1.
What is the InChIKey of (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is DCBRUUDUAYUDAU-YIONKMFJSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-6-12(2)8-16(7-11)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)/t13-,14+,15?.
What are the key properties of (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1R,5S)-N-(3,5-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 (1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 9097108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).