(3-acetamidophenyl)methyl acetate

C11H13NO3 — CID 14499098

IUPAC(3-acetamidophenyl)methyl acetate
SMILESCC(=O)Nc1cccc(COC(C)=O)c1
InChIInChI=1S/C11H13NO3/c1-8(13)12-11-5-3-4-10(6-11)7-15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyQBUNQFCOHXQKQV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.71
Rot. Bonds3

About (3-acetamidophenyl)methyl acetate

(3-acetamidophenyl)methyl acetate (PubChem CID 14499098) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3-acetamidophenyl)methyl acetate.

Molecular Properties

Compound Name(3-acetamidophenyl)methyl acetate
PubChem CID14499098
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3-acetamidophenyl)methyl acetate
SMILESCC(=O)Nc1cccc(COC(C)=O)c1
InChIInChI=1S/C11H13NO3/c1-8(13)12-11-5-3-4-10(6-11)7-15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyQBUNQFCOHXQKQV-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-acetamidophenyl)methyl acetate?
The IUPAC name of (3-acetamidophenyl)methyl acetate (CID 14499098) is (3-acetamidophenyl)methyl acetate.
What is the SMILES notation for (3-acetamidophenyl)methyl acetate?
The canonical SMILES for (3-acetamidophenyl)methyl acetate is CC(=O)Nc1cccc(COC(C)=O)c1.
What is the InChIKey of (3-acetamidophenyl)methyl acetate?
The InChIKey is QBUNQFCOHXQKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12-11-5-3-4-10(6-11)7-15-9(2)14/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of (3-acetamidophenyl)methyl acetate?
(3-acetamidophenyl)methyl acetate has a molecular weight of 207.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamidophenyl)methyl acetate is sourced from PubChem (CID 14499098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).