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

C19H17NO7 — CID 14793866

IUPAC[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1cc(C(=O)Nc2ccccc2)cc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C19H17NO7/c1-11(21)25-16-9-14(19(24)20-15-7-5-4-6-8-15)10-17(26-12(2)22)18(16)27-13(3)23/h4-10H,1-3H3,(H,20,24)
InChIKeyWZMLKMDLNPLQDF-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.71
Rot. Bonds5

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

[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate (PubChem CID 14793866) has the molecular formula C19H17NO7 and a molecular weight of 371.35 g/mol. Its IUPAC name is [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
PubChem CID14793866
Molecular FormulaC19H17NO7
Molecular Weight371.35 g/mol
Exact Mass371.10
IUPAC Name[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1cc(C(=O)Nc2ccccc2)cc(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C19H17NO7/c1-11(21)25-16-9-14(19(24)20-15-7-5-4-6-8-15)10-17(26-12(2)22)18(16)27-13(3)23/h4-10H,1-3H3,(H,20,24)
InChIKeyWZMLKMDLNPLQDF-UHFFFAOYSA-N
XLogP2.71
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.71
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

[2,3-diacetyloxy-5-[[4-(dimethylamino)phenyl]carbamoyl]phenyl] acetate
CID 2326725
[2,3-diacetyloxy-5-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]carbamoyl]phenyl] acetate
CID 154791697
[2,3-diacetyloxy-5-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamoyl]phenyl] acetate
CID 45270167
[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
CID 23335105
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
(4-benzamidophenyl) acetate
CID 34734144
methyl 3,4,5-triacetyloxybenzoate
CID 10924932
[2,6-dichloro-4-[(4-hydroxyphenyl)carbamoyl]phenyl] acetate
CID 17361787
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
3,4-dimethoxy-5-nitro-N-phenylbenzamide
CID 19743065
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
3,5-dibenzamido-N-phenylbenzamide
CID 17340966

Frequently Asked Questions

What is the IUPAC name of [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate?
The IUPAC name of [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate (CID 14793866) is [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate?
The canonical SMILES for [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate is CC(=O)Oc1cc(C(=O)Nc2ccccc2)cc(OC(C)=O)c1OC(C)=O.
What is the InChIKey of [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate?
The InChIKey is WZMLKMDLNPLQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO7/c1-11(21)25-16-9-14(19(24)20-15-7-5-4-6-8-15)10-17(26-12(2)22)18(16)27-13(3)23/h4-10H,1-3H3,(H,20,24).
What are the key properties of [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate?
[2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate has a molecular weight of 371.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-diacetyloxy-5-(phenylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 14793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).