methyl 2-(methylcarbamoyl)benzoate

C10H11NO3 — CID 20704953

IUPACmethyl 2-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H11NO3/c1-11-9(12)7-5-3-4-6-8(7)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKeyPFCPXIRENATFJY-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.83
Rot. Bonds2

About methyl 2-(methylcarbamoyl)benzoate

methyl 2-(methylcarbamoyl)benzoate (PubChem CID 20704953) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 2-(methylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(methylcarbamoyl)benzoate
PubChem CID20704953
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 2-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1ccccc1C(=O)OC
InChIInChI=1S/C10H11NO3/c1-11-9(12)7-5-3-4-6-8(7)10(13)14-2/h3-6H,1-2H3,(H,11,12)
InChIKeyPFCPXIRENATFJY-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylcarbamoyl)benzoate?
The IUPAC name of methyl 2-(methylcarbamoyl)benzoate (CID 20704953) is methyl 2-(methylcarbamoyl)benzoate.
What is the SMILES notation for methyl 2-(methylcarbamoyl)benzoate?
The canonical SMILES for methyl 2-(methylcarbamoyl)benzoate is CNC(=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-(methylcarbamoyl)benzoate?
The InChIKey is PFCPXIRENATFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-11-9(12)7-5-3-4-6-8(7)10(13)14-2/h3-6H,1-2H3,(H,11,12).
What are the key properties of methyl 2-(methylcarbamoyl)benzoate?
methyl 2-(methylcarbamoyl)benzoate has a molecular weight of 193.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylcarbamoyl)benzoate is sourced from PubChem (CID 20704953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).