1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea

C14H23N2O4P — CID 10470871

IUPAC1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
SMILESCCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N2O4P/c1-5-19-21(18,20-6-2)14(3,4)16-13(17)15-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyIZHVVUCNNIFUHM-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.81
Rot. Bonds7

About 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea

1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea (PubChem CID 10470871) has the molecular formula C14H23N2O4P and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
PubChem CID10470871
Molecular FormulaC14H23N2O4P
Molecular Weight314.32 g/mol
Exact Mass314.14
IUPAC Name1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
SMILESCCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N2O4P/c1-5-19-21(18,20-6-2)14(3,4)16-13(17)15-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H2,15,16,17)
InChIKeyIZHVVUCNNIFUHM-UHFFFAOYSA-N
XLogP3.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.81
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-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea?
The IUPAC name of 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea (CID 10470871) is 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea?
The canonical SMILES for 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea is CCOP(=O)(OCC)C(C)(C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea?
The InChIKey is IZHVVUCNNIFUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N2O4P/c1-5-19-21(18,20-6-2)14(3,4)16-13(17)15-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea?
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea has a molecular weight of 314.32 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea is sourced from PubChem (CID 10470871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).