methyl 4-[methoxy(methyl)carbamoyl]benzoate

C11H13NO4 — CID 54447022

IUPACmethyl 4-[methoxy(methyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)OC)cc1
InChIInChI=1S/C11H13NO4/c1-12(16-3)10(13)8-4-6-9(7-5-8)11(14)15-2/h4-7H,1-3H3
InChIKeyWSFWZFRKCJTFMV-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.11
Rot. Bonds3

About methyl 4-[methoxy(methyl)carbamoyl]benzoate

methyl 4-[methoxy(methyl)carbamoyl]benzoate (PubChem CID 54447022) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 4-[methoxy(methyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[methoxy(methyl)carbamoyl]benzoate
PubChem CID54447022
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 4-[methoxy(methyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)OC)cc1
InChIInChI=1S/C11H13NO4/c1-12(16-3)10(13)8-4-6-9(7-5-8)11(14)15-2/h4-7H,1-3H3
InChIKeyWSFWZFRKCJTFMV-UHFFFAOYSA-N
XLogP1.11
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methoxy(methyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[methoxy(methyl)carbamoyl]benzoate (CID 54447022) is methyl 4-[methoxy(methyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[methoxy(methyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[methoxy(methyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(C)OC)cc1.
What is the InChIKey of methyl 4-[methoxy(methyl)carbamoyl]benzoate?
The InChIKey is WSFWZFRKCJTFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(16-3)10(13)8-4-6-9(7-5-8)11(14)15-2/h4-7H,1-3H3.
What are the key properties of methyl 4-[methoxy(methyl)carbamoyl]benzoate?
methyl 4-[methoxy(methyl)carbamoyl]benzoate has a molecular weight of 223.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methoxy(methyl)carbamoyl]benzoate is sourced from PubChem (CID 54447022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).