3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide

C17H23NO2 — CID 70660969

IUPAC3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)C3)c1
InChIInChI=1S/C17H23NO2/c1-18(2)17(19)14-4-3-5-15(11-14)20-16-9-12-6-7-13(8-12)10-16/h3-5,11-13,16H,6-10H2,1-2H3/t12-,13+,16?
InChIKeySTVYVOMQMCICQA-OCZCAGDBSA-N
MW273.38 g/mol
LogP3.35
Rot. Bonds3

About 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide

3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide (PubChem CID 70660969) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
PubChem CID70660969
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)C3)c1
InChIInChI=1S/C17H23NO2/c1-18(2)17(19)14-4-3-5-15(11-14)20-16-9-12-6-7-13(8-12)10-16/h3-5,11-13,16H,6-10H2,1-2H3/t12-,13+,16?
InChIKeySTVYVOMQMCICQA-OCZCAGDBSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43725453
3-cyclopentyloxybenzamide
CID 71932153
(3-cyclopropyloxyphenyl)-(thiolan-2-yl)methanone
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CID 13176467

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide (CID 70660969) is 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)C3)c1.
What is the InChIKey of 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide?
The InChIKey is STVYVOMQMCICQA-OCZCAGDBSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18(2)17(19)14-4-3-5-15(11-14)20-16-9-12-6-7-13(8-12)10-16/h3-5,11-13,16H,6-10H2,1-2H3/t12-,13+,16?.
What are the key properties of 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide?
3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 70660969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).