methyl 4-(acetamidomethyl)benzoate

C11H13NO3 — CID 15550681

IUPACmethyl 4-(acetamidomethyl)benzoate
SMILESCOC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-7-9-3-5-10(6-4-9)11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyAQBLWRHHNAOLQO-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.11
Rot. Bonds3

About methyl 4-(acetamidomethyl)benzoate

methyl 4-(acetamidomethyl)benzoate (PubChem CID 15550681) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(acetamidomethyl)benzoate
PubChem CID15550681
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-(acetamidomethyl)benzoate
SMILESCOC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)12-7-9-3-5-10(6-4-9)11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)
InChIKeyAQBLWRHHNAOLQO-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(acetamidomethyl)benzoate?
The IUPAC name of methyl 4-(acetamidomethyl)benzoate (CID 15550681) is methyl 4-(acetamidomethyl)benzoate.
What is the SMILES notation for methyl 4-(acetamidomethyl)benzoate?
The canonical SMILES for methyl 4-(acetamidomethyl)benzoate is COC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of methyl 4-(acetamidomethyl)benzoate?
The InChIKey is AQBLWRHHNAOLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12-7-9-3-5-10(6-4-9)11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-(acetamidomethyl)benzoate?
methyl 4-(acetamidomethyl)benzoate has a molecular weight of 207.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 15550681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).