ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen

C16H28N2O2 — CID 142409721

IUPACethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
SMILESCC.CNC1CC(Oc2ccc(CCC(C)=O)cn2)C1.[H][H]
InChIInChI=1S/C14H20N2O2.C2H6.H2/c1-10(17)3-4-11-5-6-14(16-9-11)18-13-7-12(8-13)15-2;1-2;/h5-6,9,12-13,15H,3-4,7-8H2,1-2H3;1-2H3;1H
InChIKeyCBEJTXBANAPJER-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.00
Rot. Bonds6

About ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen

ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen (PubChem CID 142409721) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
PubChem CID142409721
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen
SMILESCC.CNC1CC(Oc2ccc(CCC(C)=O)cn2)C1.[H][H]
InChIInChI=1S/C14H20N2O2.C2H6.H2/c1-10(17)3-4-11-5-6-14(16-9-11)18-13-7-12(8-13)15-2;1-2;/h5-6,9,12-13,15H,3-4,7-8H2,1-2H3;1-2H3;1H
InChIKeyCBEJTXBANAPJER-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]oxy]propan-2-one
CID 142368291
1-[6-[3-(ethylamino)cyclobutyl]oxy-3-pyridinyl]-4-methylpentan-3-one
CID 146179421
3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]-N-[(2S)-3-methylbutan-2-yl]cyclobutan-1-amine
CID 146548076
4-[4-(oxan-4-yloxy)phenyl]butan-2-one
CID 63937035
tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
[5-(2-bromoethyl)-2-pyridinyl] acetate
CID 174760588
1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
CID 142407732
2-phenylethyl 3-[[5-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclobutane-1-carboxylate
CID 58230947
N-[(6-cycloheptyloxy-3-pyridinyl)methyl]ethanamine
CID 62298054
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
[6-(3-methylcyclohexyl)oxy-3-pyridinyl]methanol
CID 61256970

Frequently Asked Questions

What is the IUPAC name of ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen?
The IUPAC name of ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen (CID 142409721) is ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen.
What is the SMILES notation for ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen?
The canonical SMILES for ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen is CC.CNC1CC(Oc2ccc(CCC(C)=O)cn2)C1.[H][H].
What is the InChIKey of ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen?
The InChIKey is CBEJTXBANAPJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.C2H6.H2/c1-10(17)3-4-11-5-6-14(16-9-11)18-13-7-12(8-13)15-2;1-2;/h5-6,9,12-13,15H,3-4,7-8H2,1-2H3;1-2H3;1H.
What are the key properties of ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen?
ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen has a molecular weight of 280.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[6-[3-(methylamino)cyclobutyl]oxy-3-pyridinyl]butan-2-one;molecular hydrogen is sourced from PubChem (CID 142409721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).