2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide

C20H30N2O2 — CID 119799836

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide
SMILESCOc1ccc(C(C)CCNC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C20H30N2O2/c1-14(16-3-7-19(24-2)8-4-16)9-10-21-20(23)13-15-11-17-5-6-18(12-15)22-17/h3-4,7-8,14-15,17-18,22H,5-6,9-13H2,1-2H3,(H,21,23)
InChIKeyGBXODFJNZUEHDG-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.23
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide (PubChem CID 119799836) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide
PubChem CID119799836
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide
SMILESCOc1ccc(C(C)CCNC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C20H30N2O2/c1-14(16-3-7-19(24-2)8-4-16)9-10-21-20(23)13-15-11-17-5-6-18(12-15)22-17/h3-4,7-8,14-15,17-18,22H,5-6,9-13H2,1-2H3,(H,21,23)
InChIKeyGBXODFJNZUEHDG-UHFFFAOYSA-N
XLogP3.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119721040
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829777
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide;hydrochloride
CID 119822623
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740886
trans-(1R,2R)-2-[[(3R)-3-(4-methoxyphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132736
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-phenoxypropyl)acetamide
CID 119734644
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methylphenoxy)butyl]acetamide;hydrochloride
CID 119722676
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenoxy)propyl]acetamide;hydrochloride
CID 119804484
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide (CID 119799836) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide is COc1ccc(C(C)CCNC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide?
The InChIKey is GBXODFJNZUEHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(16-3-7-19(24-2)8-4-16)9-10-21-20(23)13-15-11-17-5-6-18(12-15)22-17/h3-4,7-8,14-15,17-18,22H,5-6,9-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide is sourced from PubChem (CID 119799836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).