4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide

C17H23NO2 — CID 146623691

IUPAC4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide
SMILESCNC(=O)C12CCC(c3ccc(OC)cc3)(CC1)CC2
InChIInChI=1S/C17H23NO2/c1-18-15(19)17-10-7-16(8-11-17,9-12-17)13-3-5-14(20-2)6-4-13/h3-6H,7-12H2,1-2H3,(H,18,19)
InChIKeyMKQUBWMSOSFPEE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide

4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide (PubChem CID 146623691) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide
PubChem CID146623691
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide
SMILESCNC(=O)C12CCC(c3ccc(OC)cc3)(CC1)CC2
InChIInChI=1S/C17H23NO2/c1-18-15(19)17-10-7-16(8-11-17,9-12-17)13-3-5-14(20-2)6-4-13/h3-6H,7-12H2,1-2H3,(H,18,19)
InChIKeyMKQUBWMSOSFPEE-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-N-methylbicyclo[3.2.1]octane-1-carboxamide
CID 146623454
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-(4-methoxyphenyl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847276
4-(4-methoxyphenyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 146623806
4-[4-[2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-[(4-methoxyphenyl)methyl]bicyclo[2.2.2]octane-1-carboxamide
CID 146623665
4-(4-methoxyphenyl)-N-(oxan-4-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 146623442
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
[(Z)-3-fluoro-2-[[4-[4-(methylcarbamoyl)-1-bicyclo[2.2.1]heptanyl]phenoxy]methyl]prop-2-enyl]carbamic acid
CID 146623834
tert-butyl N-[3-fluoro-2-[[4-[5-(methylcarbamoyl)-1-bicyclo[3.2.2]nonanyl]phenoxy]methyl]prop-2-enyl]carbamate
CID 175366573
methyl (Z)-2-fluoro-3-[1-(4-methoxyphenyl)cyclopropyl]prop-2-enoate
CID 100977610

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide (CID 146623691) is 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide is CNC(=O)C12CCC(c3ccc(OC)cc3)(CC1)CC2.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is MKQUBWMSOSFPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-15(19)17-10-7-16(8-11-17,9-12-17)13-3-5-14(20-2)6-4-13/h3-6H,7-12H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide?
4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methylbicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 146623691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).