1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone

C15H23NO4 — CID 115613776

IUPAC1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
SMILESCOCCN(CCO)CCOc1ccccc1C(C)=O
InChIInChI=1S/C15H23NO4/c1-13(18)14-5-3-4-6-15(14)20-12-9-16(7-10-17)8-11-19-2/h3-6,17H,7-12H2,1-2H3
InChIKeyDADFBGJSZJMEHD-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.21
Rot. Bonds10

About 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone (PubChem CID 115613776) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
PubChem CID115613776
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
SMILESCOCCN(CCO)CCOc1ccccc1C(C)=O
InChIInChI=1S/C15H23NO4/c1-13(18)14-5-3-4-6-15(14)20-12-9-16(7-10-17)8-11-19-2/h3-6,17H,7-12H2,1-2H3
InChIKeyDADFBGJSZJMEHD-UHFFFAOYSA-N
XLogP1.21
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
1-[2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]phenyl]ethanone
CID 60966894

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone (CID 115613776) is 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone is COCCN(CCO)CCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is DADFBGJSZJMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-13(18)14-5-3-4-6-15(14)20-12-9-16(7-10-17)8-11-19-2/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 281.35 g/mol, XLogP of 1.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 115613776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).