methyl 4-acetamidobenzoate

C10H11NO3 — CID 577758

IUPACmethyl 4-acetamidobenzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKeyQKWTXJSLAZKYGV-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.43
Rot. Bonds2

About methyl 4-acetamidobenzoate

methyl 4-acetamidobenzoate (PubChem CID 577758) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 4-acetamidobenzoate.

Molecular Properties

Compound Namemethyl 4-acetamidobenzoate
PubChem CID577758
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 4-acetamidobenzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKeyQKWTXJSLAZKYGV-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzocaine
CID 2337
Padimate-O
CID 30541
Butyl 4-aminobenzoate
CID 2482
Benzonatate
CID 7699
Methyl N-methylanthranilate
CID 6826
Tetracaine
CID 5411
Butacaine
CID 2480
Risocaine
CID 7174
Isobutamben
CID 7176
Tetracaine Hydrochloride
CID 8695
p-Acetamidobenzoic acid
CID 19266
Methyl n-acetylanthranilate
CID 17623

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamidobenzoate?
The IUPAC name of methyl 4-acetamidobenzoate (CID 577758) is methyl 4-acetamidobenzoate.
What is the SMILES notation for methyl 4-acetamidobenzoate?
The canonical SMILES for methyl 4-acetamidobenzoate is COC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of methyl 4-acetamidobenzoate?
The InChIKey is QKWTXJSLAZKYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-9-5-3-8(4-6-9)10(13)14-2/h3-6H,1-2H3,(H,11,12).
What are the key properties of methyl 4-acetamidobenzoate?
methyl 4-acetamidobenzoate has a molecular weight of 193.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamidobenzoate is sourced from PubChem (CID 577758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).