N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C18H23NO3 — CID 2969703

IUPACN-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C18H23NO3/c1-2-22-16-9-4-3-8-15(16)19-18(21)14-10-12-6-5-7-13(11-14)17(12)20/h3-4,8-9,12-14H,2,5-7,10-11H2,1H3,(H,19,21)
InChIKeyRRVWFVGFTOCDQQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.42
Rot. Bonds4

About N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 2969703) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID2969703
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CC2CCCC(C1)C2=O
InChIInChI=1S/C18H23NO3/c1-2-22-16-9-4-3-8-15(16)19-18(21)14-10-12-6-5-7-13(11-14)17(12)20/h3-4,8-9,12-14H,2,5-7,10-11H2,1H3,(H,19,21)
InChIKeyRRVWFVGFTOCDQQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(2-ethoxyphenyl)thiolane-3-carboxamide
CID 110860132
2-N-cyclopentyl-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132110
9-oxo-N-[2-(trifluoromethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 2898045
N-(2-ethoxyphenyl)-6-methylpiperidine-3-carboxamide
CID 24711526
9-oxo-N-phenylbicyclo[3.3.1]nonane-3-carboxamide
CID 2997747
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
1-N-tert-butyl-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139628
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 2969703) is N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CCOc1ccccc1NC(=O)C1CC2CCCC(C1)C2=O.
What is the InChIKey of N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is RRVWFVGFTOCDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-2-22-16-9-4-3-8-15(16)19-18(21)14-10-12-6-5-7-13(11-14)17(12)20/h3-4,8-9,12-14H,2,5-7,10-11H2,1H3,(H,19,21).
What are the key properties of N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 2969703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).