N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide

C13H25NO6 — CID 560205

IUPACN-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
SMILESCOCC1OC(OC)C(N(C)C(C)=O)C(OC)C1OC
InChIInChI=1S/C13H25NO6/c1-8(15)14(2)10-12(18-5)11(17-4)9(7-16-3)20-13(10)19-6/h9-13H,7H2,1-6H3
InChIKeyLLBFFWSIFJDSHK-UHFFFAOYSA-N
MW291.34 g/mol
LogP-0.12
Rot. Bonds6

About N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide

N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide (PubChem CID 560205) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
PubChem CID560205
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC NameN-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
SMILESCOCC1OC(OC)C(N(C)C(C)=O)C(OC)C1OC
InChIInChI=1S/C13H25NO6/c1-8(15)14(2)10-12(18-5)11(17-4)9(7-16-3)20-13(10)19-6/h9-13H,7H2,1-6H3
InChIKeyLLBFFWSIFJDSHK-UHFFFAOYSA-N
XLogP-0.12
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide (CID 560205) is N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide is COCC1OC(OC)C(N(C)C(C)=O)C(OC)C1OC.
What is the InChIKey of N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide?
The InChIKey is LLBFFWSIFJDSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO6/c1-8(15)14(2)10-12(18-5)11(17-4)9(7-16-3)20-13(10)19-6/h9-13H,7H2,1-6H3.
What are the key properties of N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide?
N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide has a molecular weight of 291.34 g/mol, XLogP of -0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 560205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).