(3-acetamido-4-methylphenyl)methyl acetate

C12H15NO3 — CID 18677260

IUPAC(3-acetamido-4-methylphenyl)methyl acetate
SMILESCC(=O)Nc1cc(COC(C)=O)ccc1C
InChIInChI=1S/C12H15NO3/c1-8-4-5-11(7-16-10(3)15)6-12(8)13-9(2)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCMSSWMROYQXWMI-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.02
Rot. Bonds3

About (3-acetamido-4-methylphenyl)methyl acetate

(3-acetamido-4-methylphenyl)methyl acetate (PubChem CID 18677260) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-acetamido-4-methylphenyl)methyl acetate.

Molecular Properties

Compound Name(3-acetamido-4-methylphenyl)methyl acetate
PubChem CID18677260
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3-acetamido-4-methylphenyl)methyl acetate
SMILESCC(=O)Nc1cc(COC(C)=O)ccc1C
InChIInChI=1S/C12H15NO3/c1-8-4-5-11(7-16-10(3)15)6-12(8)13-9(2)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCMSSWMROYQXWMI-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-acetamido-4-methylphenyl)methyl acetate?
The IUPAC name of (3-acetamido-4-methylphenyl)methyl acetate (CID 18677260) is (3-acetamido-4-methylphenyl)methyl acetate.
What is the SMILES notation for (3-acetamido-4-methylphenyl)methyl acetate?
The canonical SMILES for (3-acetamido-4-methylphenyl)methyl acetate is CC(=O)Nc1cc(COC(C)=O)ccc1C.
What is the InChIKey of (3-acetamido-4-methylphenyl)methyl acetate?
The InChIKey is CMSSWMROYQXWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8-4-5-11(7-16-10(3)15)6-12(8)13-9(2)14/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of (3-acetamido-4-methylphenyl)methyl acetate?
(3-acetamido-4-methylphenyl)methyl acetate has a molecular weight of 221.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-4-methylphenyl)methyl acetate is sourced from PubChem (CID 18677260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).