About methyl N-(4-methoxybenzoyl)carbamate
methyl N-(4-methoxybenzoyl)carbamate (PubChem CID 10420604) has the molecular formula C10H11NO4
and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl N-(4-methoxybenzoyl)carbamate.
Molecular Properties
| Compound Name | methyl N-(4-methoxybenzoyl)carbamate |
| PubChem CID | 10420604 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.20 g/mol |
| Exact Mass | 209.07 |
| IUPAC Name | methyl N-(4-methoxybenzoyl)carbamate |
| SMILES | COC(=O)NC(=O)c1ccc(OC)cc1 |
| InChI | InChI=1S/C10H11NO4/c1-14-8-5-3-7(4-6-8)9(12)11-10(13)15-2/h3-6H,1-2H3,(H,11,12,13) |
| InChIKey | OOIIOPJHOKJTAU-UHFFFAOYSA-N |
| XLogP | 1.19 |
| TPSA | 64.63 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 209.20 |
| LogP ≤ 5 | 1.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of methyl N-(4-methoxybenzoyl)carbamate?
The IUPAC name of methyl N-(4-methoxybenzoyl)carbamate (CID 10420604) is methyl N-(4-methoxybenzoyl)carbamate.
What is the SMILES notation for methyl N-(4-methoxybenzoyl)carbamate?
The canonical SMILES for methyl N-(4-methoxybenzoyl)carbamate is COC(=O)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl N-(4-methoxybenzoyl)carbamate?
The InChIKey is OOIIOPJHOKJTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-8-5-3-7(4-6-8)9(12)11-10(13)15-2/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of methyl N-(4-methoxybenzoyl)carbamate?
methyl N-(4-methoxybenzoyl)carbamate has a molecular weight of 209.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxybenzoyl)carbamate is sourced from PubChem (CID 10420604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).