1-(diethoxyphosphorylmethyl)-3-phenylurea

C12H19N2O4P — CID 2301679

IUPAC1-(diethoxyphosphorylmethyl)-3-phenylurea
SMILESCCOP(=O)(CNC(=O)Nc1ccccc1)OCC
InChIInChI=1S/C12H19N2O4P/c1-3-17-19(16,18-4-2)10-13-12(15)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,13,14,15)
InChIKeyYLFXFNDFCRJGLB-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.03
Rot. Bonds7

About 1-(diethoxyphosphorylmethyl)-3-phenylurea

1-(diethoxyphosphorylmethyl)-3-phenylurea (PubChem CID 2301679) has the molecular formula C12H19N2O4P and a molecular weight of 286.27 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)-3-phenylurea
PubChem CID2301679
Molecular FormulaC12H19N2O4P
Molecular Weight286.27 g/mol
Exact Mass286.11
IUPAC Name1-(diethoxyphosphorylmethyl)-3-phenylurea
SMILESCCOP(=O)(CNC(=O)Nc1ccccc1)OCC
InChIInChI=1S/C12H19N2O4P/c1-3-17-19(16,18-4-2)10-13-12(15)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,13,14,15)
InChIKeyYLFXFNDFCRJGLB-UHFFFAOYSA-N
XLogP3.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)-3-phenylurea?
The IUPAC name of 1-(diethoxyphosphorylmethyl)-3-phenylurea (CID 2301679) is 1-(diethoxyphosphorylmethyl)-3-phenylurea.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)-3-phenylurea?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)-3-phenylurea is CCOP(=O)(CNC(=O)Nc1ccccc1)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)-3-phenylurea?
The InChIKey is YLFXFNDFCRJGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N2O4P/c1-3-17-19(16,18-4-2)10-13-12(15)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(diethoxyphosphorylmethyl)-3-phenylurea?
1-(diethoxyphosphorylmethyl)-3-phenylurea has a molecular weight of 286.27 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)-3-phenylurea is sourced from PubChem (CID 2301679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).