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

C18H26N2O — CID 79609820

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H26N2O/c1-2-3-13-4-6-15(7-5-13)20-18(21)12-14-10-16-8-9-17(11-14)19-16/h4-7,14,16-17,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyAFCIBCWQPAOWQW-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.50
Rot. Bonds5

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide (PubChem CID 79609820) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
PubChem CID79609820
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C18H26N2O/c1-2-3-13-4-6-15(7-5-13)20-18(21)12-14-10-16-8-9-17(11-14)19-16/h4-7,14,16-17,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyAFCIBCWQPAOWQW-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(azepan-1-ylmethyl)phenyl]acetamide
CID 119867943
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868270
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 119738252
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 119844949
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide (CID 79609820) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide?
The InChIKey is AFCIBCWQPAOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-13-4-6-15(7-5-13)20-18(21)12-14-10-16-8-9-17(11-14)19-16/h4-7,14,16-17,19H,2-3,8-12H2,1H3,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 79609820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).