(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide

C22H23NO2 — CID 50985806

IUPAC(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1C[C@@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C22H23NO2/c24-21-17-7-4-8-18(21)14-19(13-17)22(25)23-20-11-9-16(10-12-20)15-5-2-1-3-6-15/h1-3,5-6,9-12,17-19H,4,7-8,13-14H2,(H,23,25)/t17-,18-/m0/s1
InChIKeyQVRJZKKXDCNXMP-ROUUACIJSA-N
MW333.43 g/mol
LogP4.69
Rot. Bonds3

About (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide

(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 50985806) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID50985806
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1C[C@@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C22H23NO2/c24-21-17-7-4-8-18(21)14-19(13-17)22(25)23-20-11-9-16(10-12-20)15-5-2-1-3-6-15/h1-3,5-6,9-12,17-19H,4,7-8,13-14H2,(H,23,25)/t17-,18-/m0/s1
InChIKeyQVRJZKKXDCNXMP-ROUUACIJSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
(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
(1S,5S)-N-(4-nitrophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 50938320
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
(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
N-[4-(azepan-1-ylsulfonyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46797295
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 50985806) is (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)C1C[C@@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is QVRJZKKXDCNXMP-ROUUACIJSA-N. The full InChI is InChI=1S/C22H23NO2/c24-21-17-7-4-8-18(21)14-19(13-17)22(25)23-20-11-9-16(10-12-20)15-5-2-1-3-6-15/h1-3,5-6,9-12,17-19H,4,7-8,13-14H2,(H,23,25)/t17-,18-/m0/s1.
What are the key properties of (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
(1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-9-oxo-N-(4-phenylphenyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 50985806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).