3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one

C15H21NO3 — CID 103057747

IUPAC3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c17-8-7-16(10-13-4-2-1-3-5-13)11-14-12-19-9-6-15(14)18/h1-5,14,17H,6-12H2
InChIKeyODRLNCPMQVARFD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.09
Rot. Bonds6

About 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one

3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one (PubChem CID 103057747) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one
PubChem CID103057747
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H21NO3/c17-8-7-16(10-13-4-2-1-3-5-13)11-14-12-19-9-6-15(14)18/h1-5,14,17H,6-12H2
InChIKeyODRLNCPMQVARFD-UHFFFAOYSA-N
XLogP1.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(ethyl)amino]methyl]oxan-4-one
CID 103057652
3-benzyloxan-4-one
CID 58654175
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
5-[[benzyl(2-hydroxyethyl)amino]methyl]-1,3-oxazolidin-2-one
CID 60706787
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]oxan-4-one
CID 103057834
trans-(2R,4R)-4-[[benzyl(2-hydroxyethyl)amino]methyl]-2-prop-2-ynylcyclopentan-1-one
CID 159517709
5-[[benzyl(2-hydroxyethyl)amino]methyl]-3-prop-2-ynylpyrrolidin-2-one
CID 175110365
3-[(dimethylamino)methyl]oxan-4-one
CID 15050158
2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
CID 130595374
2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
CID 62390491
3-[benzyl-[[(3S)-oxan-3-yl]methyl]amino]propanamide
CID 124755311
2-[[benzyl(ethyl)amino]methyl]cyclohexan-1-one
CID 62614565

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one (CID 103057747) is 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one is O=C1CCOCC1CN(CCO)Cc1ccccc1.
What is the InChIKey of 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The InChIKey is ODRLNCPMQVARFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-8-7-16(10-13-4-2-1-3-5-13)11-14-12-19-9-6-15(14)18/h1-5,14,17H,6-12H2.
What are the key properties of 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one has a molecular weight of 263.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(2-hydroxyethyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 103057747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).