(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate

C14H16N2O6 — CID 30036322

IUPAC(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate
SMILESCOC(=O)COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1
InChIInChI=1S/C14H16N2O6/c1-8(17)15-11-4-10(5-12(6-11)16-9(2)18)14(20)22-7-13(19)21-3/h4-6H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOCYZCJJQOOXEBV-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.93
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate

(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate (PubChem CID 30036322) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate
PubChem CID30036322
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate
SMILESCOC(=O)COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1
InChIInChI=1S/C14H16N2O6/c1-8(17)15-11-4-10(5-12(6-11)16-9(2)18)14(20)22-7-13(19)21-3/h4-6H,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyOCYZCJJQOOXEBV-UHFFFAOYSA-N
XLogP0.93
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
[2-(2,5-dimethylanilino)-2-oxoethyl] 3,5-diacetamidobenzoate
CID 46792519
CID 172688243
CID 172688243
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
(2-methoxy-2-oxoethyl) 3-amino-4,5-dichlorobenzoate
CID 61320846
(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
CID 27011161
[2-[(4-methoxy-4-oxobutyl)amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491527
(3-chlorophenyl)methyl 3,5-diacetamidobenzoate
CID 30097917
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
3-O-[4-[4-[4-[4-(4-methoxybutoxy)-4-oxobutanoyl]oxybutoxycarbonyl]benzoyl]oxybutyl] 1-O-methyl 5-acetamidobenzene-1,3-dicarboxylate
CID 171049984

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate (CID 30036322) is (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate is COC(=O)COC(=O)c1cc(NC(C)=O)cc(NC(C)=O)c1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate?
The InChIKey is OCYZCJJQOOXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O6/c1-8(17)15-11-4-10(5-12(6-11)16-9(2)18)14(20)22-7-13(19)21-3/h4-6H,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate?
(2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate has a molecular weight of 308.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 3,5-diacetamidobenzoate is sourced from PubChem (CID 30036322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).