1-diphenylphosphoryl-3-propylurea

C16H19N2O2P — CID 155919950

IUPAC1-diphenylphosphoryl-3-propylurea
SMILESCCCNC(=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N2O2P/c1-2-13-17-16(19)18-21(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H2,17,18,19,20)
InChIKeyCDLCWAFXGUIIQZ-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.62
Rot. Bonds5

About 1-diphenylphosphoryl-3-propylurea

1-diphenylphosphoryl-3-propylurea (PubChem CID 155919950) has the molecular formula C16H19N2O2P and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-diphenylphosphoryl-3-propylurea.

Molecular Properties

Compound Name1-diphenylphosphoryl-3-propylurea
PubChem CID155919950
Molecular FormulaC16H19N2O2P
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-diphenylphosphoryl-3-propylurea
SMILESCCCNC(=O)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N2O2P/c1-2-13-17-16(19)18-21(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H2,17,18,19,20)
InChIKeyCDLCWAFXGUIIQZ-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
1-((Diphenylphosphoryl)methyl)-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 1930353
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
N-(Octylcarbamoyl)-P,P-diphenylphosphinic amide
CID 71405519
N-{[3-(Diethylamino)propyl]carbamoyl}-P,P-diphenylphosphinic amide
CID 71446298
N-[(3-Butoxypropyl)carbamoyl]-P,P-diphenylphosphinic amide
CID 71446299
N-(3-aminopropyl)diphenylphosphorylacetamide
CID 86087456
1-Diphenylphosphanyl-1,3-dimethylurea
CID 86209886
1-diphenylphosphoryl-N-propan-2-ylformamide
CID 102109425
N-(n-Butyl)-N'-(diphenylphosphinyl)harnstoff
CID 129647173
2-(Diphenylphosphoryl)pyrrolidine-1-carboxamide
CID 139600015
N-(2-(dimethylamino)ethyl)diphenylphosphorylacetamide
CID 154585241

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-3-propylurea?
The IUPAC name of 1-diphenylphosphoryl-3-propylurea (CID 155919950) is 1-diphenylphosphoryl-3-propylurea.
What is the SMILES notation for 1-diphenylphosphoryl-3-propylurea?
The canonical SMILES for 1-diphenylphosphoryl-3-propylurea is CCCNC(=O)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-3-propylurea?
The InChIKey is CDLCWAFXGUIIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O2P/c1-2-13-17-16(19)18-21(20,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H2,17,18,19,20).
What are the key properties of 1-diphenylphosphoryl-3-propylurea?
1-diphenylphosphoryl-3-propylurea has a molecular weight of 302.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-3-propylurea is sourced from PubChem (CID 155919950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).