4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C16H31NO4 — CID 79913932

IUPAC4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCOCCN(CC1C(=O)C(C)(C)OC1(C)C)C(C)COC
InChIInChI=1S/C16H31NO4/c1-12(11-20-7)17(8-9-19-6)10-13-14(18)16(4,5)21-15(13,2)3/h12-13H,8-11H2,1-7H3
InChIKeyZBZDQOHRDHNQIH-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.74
Rot. Bonds8

About 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79913932) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79913932
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCOCCN(CC1C(=O)C(C)(C)OC1(C)C)C(C)COC
InChIInChI=1S/C16H31NO4/c1-12(11-20-7)17(8-9-19-6)10-13-14(18)16(4,5)21-15(13,2)3/h12-13H,8-11H2,1-7H3
InChIKeyZBZDQOHRDHNQIH-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79913932) is 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is COCCN(CC1C(=O)C(C)(C)OC1(C)C)C(C)COC.
What is the InChIKey of 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is ZBZDQOHRDHNQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-12(11-20-7)17(8-9-19-6)10-13-14(18)16(4,5)21-15(13,2)3/h12-13H,8-11H2,1-7H3.
What are the key properties of 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 301.43 g/mol, XLogP of 1.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79913932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).