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

C18H21NO3 — CID 50986057

IUPAC(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1
InChIInChI=1S/C18H21NO3/c1-11(20)12-4-3-7-16(10-12)19-18(22)15-8-13-5-2-6-14(9-15)17(13)21/h3-4,7,10,13-15H,2,5-6,8-9H2,1H3,(H,19,22)/t13-,14-/m0/s1
InChIKeyUBDDETFAQFJXAV-KBPBESRZSA-N
MW299.37 g/mol
LogP3.22
Rot. Bonds3

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

(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 50986057) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID50986057
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1
InChIInChI=1S/C18H21NO3/c1-11(20)12-4-3-7-16(10-12)19-18(22)15-8-13-5-2-6-14(9-15)17(13)21/h3-4,7,10,13-15H,2,5-6,8-9H2,1H3,(H,19,22)/t13-,14-/m0/s1
InChIKeyUBDDETFAQFJXAV-KBPBESRZSA-N
XLogP3.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
N-(3,4-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 17434309
(1R,5S)-N-[3-(benzenesulfonamido)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51949039
(1R,5S)-N-(3,5-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 9097108
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
(1R,5S)-N-(2,6-dimethylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51544633
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
(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
(1R,5S)-N-(4-bromophenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 802950
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 50986057) is (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CC(=O)c1cccc(NC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1.
What is the InChIKey of (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is UBDDETFAQFJXAV-KBPBESRZSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11(20)12-4-3-7-16(10-12)19-18(22)15-8-13-5-2-6-14(9-15)17(13)21/h3-4,7,10,13-15H,2,5-6,8-9H2,1H3,(H,19,22)/t13-,14-/m0/s1.
What are the key properties of (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
(1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-N-(3-acetylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 50986057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).