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

C16H31NO4 — CID 79912465

IUPAC4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCOCCCN(CCOC)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H31NO4/c1-15(2)13(14(18)16(3,4)21-15)12-17(9-11-20-6)8-7-10-19-5/h13H,7-12H2,1-6H3
InChIKeyDTQBXHWNNOPPEP-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.74
Rot. Bonds9

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

4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79912465) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79912465
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Name4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCOCCCN(CCOC)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C16H31NO4/c1-15(2)13(14(18)16(3,4)21-15)12-17(9-11-20-6)8-7-10-19-5/h13H,7-12H2,1-6H3
InChIKeyDTQBXHWNNOPPEP-UHFFFAOYSA-N
XLogP1.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79912465) is 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is COCCCN(CCOC)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is DTQBXHWNNOPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4/c1-15(2)13(14(18)16(3,4)21-15)12-17(9-11-20-6)8-7-10-19-5/h13H,7-12H2,1-6H3.
What are the key properties of 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 301.43 g/mol, XLogP of 1.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79912465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).