[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate

C14H25NO7 — CID 575303

IUPAC[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate
SMILESCOCC1OC(OC)C(N(C)C(C)=O)C(OC(C)=O)C1OC
InChIInChI=1S/C14H25NO7/c1-8(16)15(3)11-13(21-9(2)17)12(19-5)10(7-18-4)22-14(11)20-6/h10-14H,7H2,1-6H3
InChIKeyDAVYQARCDCHZKE-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.20
Rot. Bonds6

About [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate

[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate (PubChem CID 575303) has the molecular formula C14H25NO7 and a molecular weight of 319.35 g/mol. Its IUPAC name is [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate
PubChem CID575303
Molecular FormulaC14H25NO7
Molecular Weight319.35 g/mol
Exact Mass319.16
IUPAC Name[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate
SMILESCOCC1OC(OC)C(N(C)C(C)=O)C(OC(C)=O)C1OC
InChIInChI=1S/C14H25NO7/c1-8(16)15(3)11-13(21-9(2)17)12(19-5)10(7-18-4)22-14(11)20-6/h10-14H,7H2,1-6H3
InChIKeyDAVYQARCDCHZKE-UHFFFAOYSA-N
XLogP-0.20
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(2R,3R,4R,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl]acetamide
CID 11130066
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 91751777
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 131709256
2,4,5-trimethoxy-6-(methoxymethyl)-N,N-dimethyloxan-3-amine
CID 568194
[(2R,3R,4S,5S,6S)-5-acetyloxy-3,4,6-trimethoxyoxan-2-yl]methyl acetate
CID 22214452
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 2795017
[(2S,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 71771975
[(3R,4S,6S)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 70864054
[(3R,4S,5R)-3,4,5-triacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 45050229
[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 14337642

Frequently Asked Questions

What is the IUPAC name of [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate?
The IUPAC name of [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate (CID 575303) is [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate is COCC1OC(OC)C(N(C)C(C)=O)C(OC(C)=O)C1OC.
What is the InChIKey of [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate?
The InChIKey is DAVYQARCDCHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO7/c1-8(16)15(3)11-13(21-9(2)17)12(19-5)10(7-18-4)22-14(11)20-6/h10-14H,7H2,1-6H3.
What are the key properties of [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate?
[3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate has a molecular weight of 319.35 g/mol, XLogP of -0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[acetyl(methyl)amino]-2,5-dimethoxy-6-(methoxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 575303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).