N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine

C26H24NO3P — CID 2876041

IUPACN-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NO3P/c28-31(29-24-17-9-3-10-18-24,30-25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)27-21-22-13-5-1-6-14-22/h1-20,26-27H,21H2
InChIKeyPIMLGEPMMPLVQH-UHFFFAOYSA-N
MW429.46 g/mol
LogP6.83
Rot. Bonds9

About N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine

N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine (PubChem CID 2876041) has the molecular formula C26H24NO3P and a molecular weight of 429.46 g/mol. Its IUPAC name is N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine
PubChem CID2876041
Molecular FormulaC26H24NO3P
Molecular Weight429.46 g/mol
Exact Mass429.15
IUPAC NameN-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C26H24NO3P/c28-31(29-24-17-9-3-10-18-24,30-25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)27-21-22-13-5-1-6-14-22/h1-20,26-27H,21H2
InChIKeyPIMLGEPMMPLVQH-UHFFFAOYSA-N
XLogP6.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.46
LogP ≤ 56.83
H-Bond Donors ≤ 51
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 N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine?
The IUPAC name of N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine (CID 2876041) is N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine.
What is the SMILES notation for N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine?
The canonical SMILES for N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine is O=P(Oc1ccccc1)(Oc1ccccc1)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine?
The InChIKey is PIMLGEPMMPLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24NO3P/c28-31(29-24-17-9-3-10-18-24,30-25-19-11-4-12-20-25)26(23-15-7-2-8-16-23)27-21-22-13-5-1-6-14-22/h1-20,26-27H,21H2.
What are the key properties of N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine?
N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine has a molecular weight of 429.46 g/mol, XLogP of 6.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-diphenoxyphosphoryl-1-phenylmethanamine is sourced from PubChem (CID 2876041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).