[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate

C14H15NO7 — CID 23335105

IUPAC[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
SMILESCNC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H15NO7/c1-7(16)20-11-5-10(14(19)15-4)6-12(21-8(2)17)13(11)22-9(3)18/h5-6H,1-4H3,(H,15,19)
InChIKeyBFJSMSPRRMOLIE-UHFFFAOYSA-N
MW309.27 g/mol
LogP0.82
Rot. Bonds4

About [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate

[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate (PubChem CID 23335105) has the molecular formula C14H15NO7 and a molecular weight of 309.27 g/mol. Its IUPAC name is [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
PubChem CID23335105
Molecular FormulaC14H15NO7
Molecular Weight309.27 g/mol
Exact Mass309.08
IUPAC Name[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
SMILESCNC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H15NO7/c1-7(16)20-11-5-10(14(19)15-4)6-12(21-8(2)17)13(11)22-9(3)18/h5-6H,1-4H3,(H,15,19)
InChIKeyBFJSMSPRRMOLIE-UHFFFAOYSA-N
XLogP0.82
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 3,4,5-triacetyloxybenzoate
CID 10924932
[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
CID 14793866
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
[2,3-diacetyloxy-5-[[4-(dimethylamino)phenyl]carbamoyl]phenyl] acetate
CID 2326725
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
methyl 3,5-diacetyloxy-4-methoxybenzoate
CID 139070883
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
(2-acetyloxy-5-carbonochloridoyl-3-methylphenyl) acetate
CID 118229923
3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate?
The IUPAC name of [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate (CID 23335105) is [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate is CNC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate?
The InChIKey is BFJSMSPRRMOLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO7/c1-7(16)20-11-5-10(14(19)15-4)6-12(21-8(2)17)13(11)22-9(3)18/h5-6H,1-4H3,(H,15,19).
What are the key properties of [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate?
[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate has a molecular weight of 309.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 23335105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).