N-phenyl-N-(propanoylcarbamoyl)carbamate

C11H11N2O4- — CID 57374810

IUPACN-phenyl-N-(propanoylcarbamoyl)carbamate
SMILESCCC(=O)NC(=O)N(C(=O)[O-])c1ccccc1
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,(H,16,17)(H,12,14,15)/p-1
InChIKeyUSQYHQLCSHBNFY-UHFFFAOYSA-M
MW235.22 g/mol
LogP0.48
Rot. Bonds2

About N-phenyl-N-(propanoylcarbamoyl)carbamate

N-phenyl-N-(propanoylcarbamoyl)carbamate (PubChem CID 57374810) has the molecular formula C11H11N2O4- and a molecular weight of 235.22 g/mol. Its IUPAC name is N-phenyl-N-(propanoylcarbamoyl)carbamate.

Molecular Properties

Compound NameN-phenyl-N-(propanoylcarbamoyl)carbamate
PubChem CID57374810
Molecular FormulaC11H11N2O4-
Molecular Weight235.22 g/mol
Exact Mass235.07
IUPAC NameN-phenyl-N-(propanoylcarbamoyl)carbamate
SMILESCCC(=O)NC(=O)N(C(=O)[O-])c1ccccc1
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,(H,16,17)(H,12,14,15)/p-1
InChIKeyUSQYHQLCSHBNFY-UHFFFAOYSA-M
XLogP0.48
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(propanoylcarbamoyl)carbamate?
The IUPAC name of N-phenyl-N-(propanoylcarbamoyl)carbamate (CID 57374810) is N-phenyl-N-(propanoylcarbamoyl)carbamate.
What is the SMILES notation for N-phenyl-N-(propanoylcarbamoyl)carbamate?
The canonical SMILES for N-phenyl-N-(propanoylcarbamoyl)carbamate is CCC(=O)NC(=O)N(C(=O)[O-])c1ccccc1.
What is the InChIKey of N-phenyl-N-(propanoylcarbamoyl)carbamate?
The InChIKey is USQYHQLCSHBNFY-UHFFFAOYSA-M. 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,(H,16,17)(H,12,14,15)/p-1.
What are the key properties of N-phenyl-N-(propanoylcarbamoyl)carbamate?
N-phenyl-N-(propanoylcarbamoyl)carbamate has a molecular weight of 235.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(propanoylcarbamoyl)carbamate is sourced from PubChem (CID 57374810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).