1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea

C18H23N2O4P — CID 3355771

IUPAC1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea
SMILESCCOP(=O)(OCC)C(NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O4P/c1-3-23-25(22,24-4-2)17(15-11-7-5-8-12-15)20-18(21)19-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyLXYHPQQUHZHMTJ-UHFFFAOYSA-N
MW362.37 g/mol
LogP4.77
Rot. Bonds8

About 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea

1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea (PubChem CID 3355771) has the molecular formula C18H23N2O4P and a molecular weight of 362.37 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea
PubChem CID3355771
Molecular FormulaC18H23N2O4P
Molecular Weight362.37 g/mol
Exact Mass362.14
IUPAC Name1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea
SMILESCCOP(=O)(OCC)C(NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N2O4P/c1-3-23-25(22,24-4-2)17(15-11-7-5-8-12-15)20-18(21)19-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyLXYHPQQUHZHMTJ-UHFFFAOYSA-N
XLogP4.77
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.77
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-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea (CID 3355771) is 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea is CCOP(=O)(OCC)C(NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea?
The InChIKey is LXYHPQQUHZHMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N2O4P/c1-3-23-25(22,24-4-2)17(15-11-7-5-8-12-15)20-18(21)19-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea?
1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea has a molecular weight of 362.37 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(phenyl)methyl]-3-phenylurea is sourced from PubChem (CID 3355771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).