ethyl N-(phenylcarbamoyl)carbamate

C10H12N2O3 — CID 12956052

IUPACethyl N-(phenylcarbamoyl)carbamate
SMILESCCOC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)12-9(13)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13,14)
InChIKeyCNCLYACPAKSRHN-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(phenylcarbamoyl)carbamate

ethyl N-(phenylcarbamoyl)carbamate (PubChem CID 12956052) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl N-(phenylcarbamoyl)carbamate.

Molecular Properties

Compound Nameethyl N-(phenylcarbamoyl)carbamate
PubChem CID12956052
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl N-(phenylcarbamoyl)carbamate
SMILESCCOC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C10H12N2O3/c1-2-15-10(14)12-9(13)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13,14)
InChIKeyCNCLYACPAKSRHN-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(phenylcarbamoyl)carbamate?
The IUPAC name of ethyl N-(phenylcarbamoyl)carbamate (CID 12956052) is ethyl N-(phenylcarbamoyl)carbamate.
What is the SMILES notation for ethyl N-(phenylcarbamoyl)carbamate?
The canonical SMILES for ethyl N-(phenylcarbamoyl)carbamate is CCOC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of ethyl N-(phenylcarbamoyl)carbamate?
The InChIKey is CNCLYACPAKSRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-10(14)12-9(13)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13,14).
What are the key properties of ethyl N-(phenylcarbamoyl)carbamate?
ethyl N-(phenylcarbamoyl)carbamate has a molecular weight of 208.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(phenylcarbamoyl)carbamate is sourced from PubChem (CID 12956052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).