ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one

C17H30N2O3 — CID 142368291

IUPACethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one
SMILESCC.CC.CNC1CC(Oc2ccc(OCC(C)=O)cn2)C1
InChIInChI=1S/C13H18N2O3.2C2H6/c1-9(16)8-17-11-3-4-13(15-7-11)18-12-5-10(6-12)14-2;2*1-2/h3-4,7,10,12,14H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyOLHYRGDEHHAHRX-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.23
Rot. Bonds6

About ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one

ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one (PubChem CID 142368291) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one.

Molecular Properties

Compound Nameethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one
PubChem CID142368291
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nameethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one
SMILESCC.CC.CNC1CC(Oc2ccc(OCC(C)=O)cn2)C1
InChIInChI=1S/C13H18N2O3.2C2H6/c1-9(16)8-17-11-3-4-13(15-7-11)18-12-5-10(6-12)14-2;2*1-2/h3-4,7,10,12,14H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyOLHYRGDEHHAHRX-UHFFFAOYSA-N
XLogP3.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
CID 142409721
N-[3-[[5-(3-methyl-2-oxobutoxy)-2-pyridinyl]oxy]cyclobutyl]methanesulfinothioamide
CID 146520687
1-[[6-[3-(1-sulfanylethylamino)cyclobutyl]oxy-3-pyridinyl]oxy]butan-2-one
CID 155321947
N-tert-butyl-3-[[5-(2-methylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
CID 146520477
3-[[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]oxy]-N-propan-2-ylcyclobutan-1-amine
CID 155215049
3-(2-tert-butylpyrimidin-5-yl)oxy-N-methylcyclobutan-1-amine
CID 170389181
tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
3-[[5-(2,2-dimethylpropoxy)-2-pyridinyl]oxy]cyclobutan-1-amine
CID 134335610
1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
CID 146179421
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477
2-cyclohexyloxy-5-methoxypyridine
CID 170010378
5-methyl-2-(3-methylcyclobutyl)oxypyridine
CID 135173700

Frequently Asked Questions

What is the IUPAC name of ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one?
The IUPAC name of ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one (CID 142368291) is ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one.
What is the SMILES notation for ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one?
The canonical SMILES for ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one is CC.CC.CNC1CC(Oc2ccc(OCC(C)=O)cn2)C1.
What is the InChIKey of ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one?
The InChIKey is OLHYRGDEHHAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.2C2H6/c1-9(16)8-17-11-3-4-13(15-7-11)18-12-5-10(6-12)14-2;2*1-2/h3-4,7,10,12,14H,5-6,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one?
ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one has a molecular weight of 310.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one is sourced from PubChem (CID 142368291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).