1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen

C15H23NO2 — CID 142407732

IUPAC1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
SMILESCCNC1CC(Oc2ccc(CC(C)=O)cc2)C1.[H][H]
InChIInChI=1S/C15H21NO2.H2/c1-3-16-13-9-15(10-13)18-14-6-4-12(5-7-14)8-11(2)17;/h4-7,13,15-16H,3,8-10H2,1-2H3;1H
InChIKeyKPIHHPSJGUAEPW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.58
Rot. Bonds6

About 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen

1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen (PubChem CID 142407732) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
PubChem CID142407732
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen
SMILESCCNC1CC(Oc2ccc(CC(C)=O)cc2)C1.[H][H]
InChIInChI=1S/C15H21NO2.H2/c1-3-16-13-9-15(10-13)18-14-6-4-12(5-7-14)8-11(2)17;/h4-7,13,15-16H,3,8-10H2,1-2H3;1H
InChIKeyKPIHHPSJGUAEPW-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen?
The IUPAC name of 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen (CID 142407732) is 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen.
What is the SMILES notation for 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen?
The canonical SMILES for 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen is CCNC1CC(Oc2ccc(CC(C)=O)cc2)C1.[H][H].
What is the InChIKey of 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen?
The InChIKey is KPIHHPSJGUAEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.H2/c1-3-16-13-9-15(10-13)18-14-6-4-12(5-7-14)8-11(2)17;/h4-7,13,15-16H,3,8-10H2,1-2H3;1H.
What are the key properties of 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen?
1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen has a molecular weight of 249.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(ethylamino)cyclobutyl]oxyphenyl]propan-2-one;molecular hydrogen is sourced from PubChem (CID 142407732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).