N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide

C13H27NO6 — CID 59760391

IUPACN-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide
SMILESCOCC(OC)C(O)C(OC)C(COC)N(C)C(C)=O
InChIInChI=1S/C13H27NO6/c1-9(15)14(2)10(7-17-3)13(20-6)12(16)11(19-5)8-18-4/h10-13,16H,7-8H2,1-6H3
InChIKeyYSNAZLHMLRAFSQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP-0.48
Rot. Bonds10

About N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide

N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide (PubChem CID 59760391) has the molecular formula C13H27NO6 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide
PubChem CID59760391
Molecular FormulaC13H27NO6
Molecular Weight293.36 g/mol
Exact Mass293.18
IUPAC NameN-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide
SMILESCOCC(OC)C(O)C(OC)C(COC)N(C)C(C)=O
InChIInChI=1S/C13H27NO6/c1-9(15)14(2)10(7-17-3)13(20-6)12(16)11(19-5)8-18-4/h10-13,16H,7-8H2,1-6H3
InChIKeyYSNAZLHMLRAFSQ-UHFFFAOYSA-N
XLogP-0.48
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide?
The IUPAC name of N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide (CID 59760391) is N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide?
The canonical SMILES for N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide is COCC(OC)C(O)C(OC)C(COC)N(C)C(C)=O.
What is the InChIKey of N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide?
The InChIKey is YSNAZLHMLRAFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO6/c1-9(15)14(2)10(7-17-3)13(20-6)12(16)11(19-5)8-18-4/h10-13,16H,7-8H2,1-6H3.
What are the key properties of N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide?
N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide has a molecular weight of 293.36 g/mol, XLogP of -0.48, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1,3,5,6-tetramethoxyhexan-2-yl)-N-methylacetamide is sourced from PubChem (CID 59760391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).