N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide

C22H31NO2 — CID 22445368

IUPACN-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide
SMILESCOC12CCC(c3ccc(CNC(=O)C4CCCC4)cc3)(CC1)CC2
InChIInChI=1S/C22H31NO2/c1-25-22-13-10-21(11-14-22,12-15-22)19-8-6-17(7-9-19)16-23-20(24)18-4-2-3-5-18/h6-9,18H,2-5,10-16H2,1H3,(H,23,24)
InChIKeyMBSOQPSUPRAHRY-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.48
Rot. Bonds5

About N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide

N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide (PubChem CID 22445368) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide
PubChem CID22445368
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide
SMILESCOC12CCC(c3ccc(CNC(=O)C4CCCC4)cc3)(CC1)CC2
InChIInChI=1S/C22H31NO2/c1-25-22-13-10-21(11-14-22,12-15-22)19-8-6-17(7-9-19)16-23-20(24)18-4-2-3-5-18/h6-9,18H,2-5,10-16H2,1H3,(H,23,24)
InChIKeyMBSOQPSUPRAHRY-UHFFFAOYSA-N
XLogP4.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(Benzylamino)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-phenylcyclopentyl)methanone
CID 178322258
2-(1-adamantyl)-N-[(4-methylphenyl)methyl]acetamide
CID 5029502
methyl (2R,3S)-3-acetamido-2-(1-adamantyl)-3-phenylpropanoate
CID 164685453
(8R,10S,13S,17S)-3-(ethoxymethyl)-N-[(4-fluorophenyl)methyl]-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 145443020
2-(6-methoxy-2-phenyl-2-tricyclo[3.3.1.03,7]nonanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162564192
[(3S,10R,13S,17R)-17-[2-(benzylamino)-1-methyl-2-oxo-ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 71590546
[(1R)-4-amino-1-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzoyl]amino]butyl]boronic acid;hydrochloride
CID 18665511
[(1R)-4-amino-1-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzoyl]amino]butyl]boronic acid
CID 18665512
[(1R)-1-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzoyl]amino]-4-(methylamino)butyl]boronic acid
CID 18665521
[(1R)-5-amino-1-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzoyl]amino]pentyl]boronic acid;hydrochloride
CID 18665524
[(1R)-5-amino-1-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)benzoyl]amino]pentyl]boronic acid
CID 18665525
1-[[4-(4-Methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 18971236

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide (CID 22445368) is N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide is COC12CCC(c3ccc(CNC(=O)C4CCCC4)cc3)(CC1)CC2.
What is the InChIKey of N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is MBSOQPSUPRAHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-25-22-13-10-21(11-14-22,12-15-22)19-8-6-17(7-9-19)16-23-20(24)18-4-2-3-5-18/h6-9,18H,2-5,10-16H2,1H3,(H,23,24).
What are the key properties of N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide?
N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxy-1-bicyclo[2.2.2]octanyl)phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 22445368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).