phenyl N-(propanoylcarbamoyl)carbamate

C11H12N2O4 — CID 564970

IUPACphenyl N-(propanoylcarbamoyl)carbamate
SMILESCCC(=O)NC(=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H12N2O4/c1-2-9(14)12-10(15)13-11(16)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyWJWRGIMEMCSACO-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.42
Rot. Bonds2

About phenyl N-(propanoylcarbamoyl)carbamate

phenyl N-(propanoylcarbamoyl)carbamate (PubChem CID 564970) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is phenyl N-(propanoylcarbamoyl)carbamate.

Molecular Properties

Compound Namephenyl N-(propanoylcarbamoyl)carbamate
PubChem CID564970
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Namephenyl N-(propanoylcarbamoyl)carbamate
SMILESCCC(=O)NC(=O)NC(=O)Oc1ccccc1
InChIInChI=1S/C11H12N2O4/c1-2-9(14)12-10(15)13-11(16)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16)
InChIKeyWJWRGIMEMCSACO-UHFFFAOYSA-N
XLogP1.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(propanoylcarbamoyl)carbamate?
The IUPAC name of phenyl N-(propanoylcarbamoyl)carbamate (CID 564970) is phenyl N-(propanoylcarbamoyl)carbamate.
What is the SMILES notation for phenyl N-(propanoylcarbamoyl)carbamate?
The canonical SMILES for phenyl N-(propanoylcarbamoyl)carbamate is CCC(=O)NC(=O)NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(propanoylcarbamoyl)carbamate?
The InChIKey is WJWRGIMEMCSACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-2-9(14)12-10(15)13-11(16)17-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,12,13,14,15,16).
What are the key properties of phenyl N-(propanoylcarbamoyl)carbamate?
phenyl N-(propanoylcarbamoyl)carbamate has a molecular weight of 236.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(propanoylcarbamoyl)carbamate is sourced from PubChem (CID 564970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).