(2-acetamidophenyl)methyl 2-acetyloxybenzoate

C18H17NO5 — CID 20571663

IUPAC(2-acetamidophenyl)methyl 2-acetyloxybenzoate
SMILESCC(=O)Nc1ccccc1COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C18H17NO5/c1-12(20)19-16-9-5-3-7-14(16)11-23-18(22)15-8-4-6-10-17(15)24-13(2)21/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIWXSCIIACHHNBR-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.93
Rot. Bonds5

About (2-acetamidophenyl)methyl 2-acetyloxybenzoate

(2-acetamidophenyl)methyl 2-acetyloxybenzoate (PubChem CID 20571663) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2-acetamidophenyl)methyl 2-acetyloxybenzoate.

Molecular Properties

Compound Name(2-acetamidophenyl)methyl 2-acetyloxybenzoate
PubChem CID20571663
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(2-acetamidophenyl)methyl 2-acetyloxybenzoate
SMILESCC(=O)Nc1ccccc1COC(=O)c1ccccc1OC(C)=O
InChIInChI=1S/C18H17NO5/c1-12(20)19-16-9-5-3-7-14(16)11-23-18(22)15-8-4-6-10-17(15)24-13(2)21/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyIWXSCIIACHHNBR-UHFFFAOYSA-N
XLogP2.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxyethyl 2-acetyloxybenzoate
CID 91699041
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
methyl 2-[[2-(2-acetyloxyphenyl)acetyl]amino]benzoate
CID 11450246
6-(2-acetyloxybenzoyl)oxyhexyl 2-acetyloxybenzoate
CID 18720465
(2,4-diaminopyrimidin-5-yl)methyl 2-acetyloxybenzoate
CID 10266892
(2-acetyloxyphenyl)methyl acetate
CID 10889107
[3-(hydroxymethyl)phenyl]methyl 2-acetyloxybenzoate
CID 57485100
[2-[(dihydroxyamino)oxymethyl]phenyl] 2-acetyloxybenzoate
CID 89125455
[2,2-bis[(2-acetyloxybenzoyl)oxymethyl]-3-(2-carboniodidoyloxybenzoyl)oxypropyl] 2-acetyloxybenzoate
CID 163829030
4-oxopentyl 2-acetyloxybenzoate
CID 89129205
[3-(2-acetyloxybenzoyl)oxy-2-[[2-[[3-(2-acetyloxybenzoyl)oxy-2,2-bis[(2-acetyloxybenzoyl)oxymethyl]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]-3-[(2-acetyloxyphenyl)methoxy]propoxy]methyl]-2-[(2-acetyloxybenzoyl)oxymethyl]propyl] 2-(2-oxopropyl)benzoate
CID 89007242
(2-chloro-4-nitrophenyl)methyl 2-acetyloxybenzoate
CID 2976868

Frequently Asked Questions

What is the IUPAC name of (2-acetamidophenyl)methyl 2-acetyloxybenzoate?
The IUPAC name of (2-acetamidophenyl)methyl 2-acetyloxybenzoate (CID 20571663) is (2-acetamidophenyl)methyl 2-acetyloxybenzoate.
What is the SMILES notation for (2-acetamidophenyl)methyl 2-acetyloxybenzoate?
The canonical SMILES for (2-acetamidophenyl)methyl 2-acetyloxybenzoate is CC(=O)Nc1ccccc1COC(=O)c1ccccc1OC(C)=O.
What is the InChIKey of (2-acetamidophenyl)methyl 2-acetyloxybenzoate?
The InChIKey is IWXSCIIACHHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-12(20)19-16-9-5-3-7-14(16)11-23-18(22)15-8-4-6-10-17(15)24-13(2)21/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of (2-acetamidophenyl)methyl 2-acetyloxybenzoate?
(2-acetamidophenyl)methyl 2-acetyloxybenzoate has a molecular weight of 327.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamidophenyl)methyl 2-acetyloxybenzoate is sourced from PubChem (CID 20571663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).