2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide

C19H26F2N2O2 — CID 119721294

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
SMILESCCC(NC(=O)CC1CC2CCC(C1)N2)c1ccccc1OC(F)F
InChIInChI=1S/C19H26F2N2O2/c1-2-16(15-5-3-4-6-17(15)25-19(20)21)23-18(24)11-12-9-13-7-8-14(10-12)22-13/h3-6,12-14,16,19,22H,2,7-11H2,1H3,(H,23,24)
InChIKeyCOAPVEWWFZUMNB-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.78
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide (PubChem CID 119721294) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
PubChem CID119721294
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide
SMILESCCC(NC(=O)CC1CC2CCC(C1)N2)c1ccccc1OC(F)F
InChIInChI=1S/C19H26F2N2O2/c1-2-16(15-5-3-4-6-17(15)25-19(20)21)23-18(24)11-12-9-13-7-8-14(10-12)22-13/h3-6,12-14,16,19,22H,2,7-11H2,1H3,(H,23,24)
InChIKeyCOAPVEWWFZUMNB-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119816788
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443690
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 119730495
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-phenoxybutan-2-yl]acetamide
CID 99849967
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-bromophenyl)ethyl]acetamide
CID 79609850
N-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34696990
1-[(1R)-1-[2-(difluoromethoxy)phenyl]propyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98792983
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 119813115

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide (CID 119721294) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide is CCC(NC(=O)CC1CC2CCC(C1)N2)c1ccccc1OC(F)F.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide?
The InChIKey is COAPVEWWFZUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-2-16(15-5-3-4-6-17(15)25-19(20)21)23-18(24)11-12-9-13-7-8-14(10-12)22-13/h3-6,12-14,16,19,22H,2,7-11H2,1H3,(H,23,24).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.78, 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-[1-[2-(difluoromethoxy)phenyl]propyl]acetamide is sourced from PubChem (CID 119721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).