ethyl N-(benzylcarbamoyl)carbamate

C11H14N2O3 — CID 2748727

IUPACethyl N-(benzylcarbamoyl)carbamate
SMILESCCOC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-2-16-11(15)13-10(14)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,15)
InChIKeyZZLABCJZAWKQGQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.64
Rot. Bonds3

About ethyl N-(benzylcarbamoyl)carbamate

ethyl N-(benzylcarbamoyl)carbamate (PubChem CID 2748727) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl N-(benzylcarbamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(benzylcarbamoyl)carbamate
PubChem CID2748727
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl N-(benzylcarbamoyl)carbamate
SMILESCCOC(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C11H14N2O3/c1-2-16-11(15)13-10(14)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,15)
InChIKeyZZLABCJZAWKQGQ-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
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CID 6457861
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzylcarbamoyl)carbamate?
The IUPAC name of ethyl N-(benzylcarbamoyl)carbamate (CID 2748727) is ethyl N-(benzylcarbamoyl)carbamate.
What is the SMILES notation for ethyl N-(benzylcarbamoyl)carbamate?
The canonical SMILES for ethyl N-(benzylcarbamoyl)carbamate is CCOC(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of ethyl N-(benzylcarbamoyl)carbamate?
The InChIKey is ZZLABCJZAWKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-16-11(15)13-10(14)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,15).
What are the key properties of ethyl N-(benzylcarbamoyl)carbamate?
ethyl N-(benzylcarbamoyl)carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzylcarbamoyl)carbamate is sourced from PubChem (CID 2748727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).