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

C17H22N2O2 — CID 79610778

IUPACN-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C17H22N2O2/c1-11(20)13-3-2-4-14(10-13)19-17(21)9-12-7-15-5-6-16(8-12)18-15/h2-4,10,12,15-16,18H,5-9H2,1H3,(H,19,21)
InChIKeyMWRCTUHONWDEPS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (PubChem CID 79610778) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
PubChem CID79610778
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C17H22N2O2/c1-11(20)13-3-2-4-14(10-13)19-17(21)9-12-7-15-5-6-16(8-12)18-15/h2-4,10,12,15-16,18H,5-9H2,1H3,(H,19,21)
InChIKeyMWRCTUHONWDEPS-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 119714267
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-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1-methoxyethyl)phenyl]acetamide
CID 119768546
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylsulfonylmethyl)phenyl]acetamide;hydrochloride
CID 119756851

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide (CID 79610778) is N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is CC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
The InChIKey is MWRCTUHONWDEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(20)13-3-2-4-14(10-13)19-17(21)9-12-7-15-5-6-16(8-12)18-15/h2-4,10,12,15-16,18H,5-9H2,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide?
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide is sourced from PubChem (CID 79610778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).