2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide

C16H23N3O2 — CID 105364030

IUPAC2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC2CCN3CCC2C3)c1
InChIInChI=1S/C16H23N3O2/c1-17-16(20)11-21-14-4-2-3-13(9-14)18-15-6-8-19-7-5-12(15)10-19/h2-4,9,12,15,18H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyUWAYBIZLXLSSJT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.32
Rot. Bonds5

About 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide

2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide (PubChem CID 105364030) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
PubChem CID105364030
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(NC2CCN3CCC2C3)c1
InChIInChI=1S/C16H23N3O2/c1-17-16(20)11-21-14-4-2-3-13(9-14)18-15-6-8-19-7-5-12(15)10-19/h2-4,9,12,15,18H,5-8,10-11H2,1H3,(H,17,20)
InChIKeyUWAYBIZLXLSSJT-UHFFFAOYSA-N
XLogP1.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364370
N-methyl-2-[3-[(2-methyloxolan-3-yl)amino]phenoxy]acetamide
CID 82727757
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
CID 65070020
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
2-[3-[(1,1-dioxothian-3-yl)amino]phenoxy]-N-methylacetamide
CID 63911838
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
2-[3-(1-cyclobutylpropan-2-ylamino)phenoxy]-N-methylacetamide
CID 115918854
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
2-[3-[(4-bromophenyl)methylamino]phenoxy]-N-methylacetamide
CID 43693359

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide (CID 105364030) is 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(NC2CCN3CCC2C3)c1.
What is the InChIKey of 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide?
The InChIKey is UWAYBIZLXLSSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-16(20)11-21-14-4-2-3-13(9-14)18-15-6-8-19-7-5-12(15)10-19/h2-4,9,12,15,18H,5-8,10-11H2,1H3,(H,17,20).
What are the key properties of 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide?
2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-azabicyclo[3.2.1]octan-4-ylamino)phenoxy]-N-methylacetamide is sourced from PubChem (CID 105364030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).