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

C17H33NO3 — CID 79913939

IUPAC4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC(CC)N(CCOC)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H33NO3/c1-8-13(9-2)18(10-11-20-7)12-14-15(19)17(5,6)21-16(14,3)4/h13-14H,8-12H2,1-7H3
InChIKeyRWQMNBHHCSNJMH-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.90
Rot. Bonds8

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

4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79913939) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79913939
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCCC(CC)N(CCOC)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H33NO3/c1-8-13(9-2)18(10-11-20-7)12-14-15(19)17(5,6)21-16(14,3)4/h13-14H,8-12H2,1-7H3
InChIKeyRWQMNBHHCSNJMH-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79913939) is 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CCC(CC)N(CCOC)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is RWQMNBHHCSNJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-8-13(9-2)18(10-11-20-7)12-14-15(19)17(5,6)21-16(14,3)4/h13-14H,8-12H2,1-7H3.
What are the key properties of 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 299.45 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(pentan-3-yl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79913939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).