N-diphenoxyphosphoryl-1-phenylethanamine

C20H20NO3P — CID 4689320

IUPACN-diphenoxyphosphoryl-1-phenylethanamine
SMILESCC(NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NO3P/c1-17(18-11-5-2-6-12-18)21-25(22,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h2-17H,1H3,(H,21,22)
InChIKeyOMEYXFVJSLEZAD-UHFFFAOYSA-N
MW353.36 g/mol
LogP5.60
Rot. Bonds7

About N-diphenoxyphosphoryl-1-phenylethanamine

N-diphenoxyphosphoryl-1-phenylethanamine (PubChem CID 4689320) has the molecular formula C20H20NO3P and a molecular weight of 353.36 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-1-phenylethanamine.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-1-phenylethanamine
PubChem CID4689320
Molecular FormulaC20H20NO3P
Molecular Weight353.36 g/mol
Exact Mass353.12
IUPAC NameN-diphenoxyphosphoryl-1-phenylethanamine
SMILESCC(NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NO3P/c1-17(18-11-5-2-6-12-18)21-25(22,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h2-17H,1H3,(H,21,22)
InChIKeyOMEYXFVJSLEZAD-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.36
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-diphenoxyphosphoryl-1-phenylethanamine?
The IUPAC name of N-diphenoxyphosphoryl-1-phenylethanamine (CID 4689320) is N-diphenoxyphosphoryl-1-phenylethanamine.
What is the SMILES notation for N-diphenoxyphosphoryl-1-phenylethanamine?
The canonical SMILES for N-diphenoxyphosphoryl-1-phenylethanamine is CC(NP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenoxyphosphoryl-1-phenylethanamine?
The InChIKey is OMEYXFVJSLEZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO3P/c1-17(18-11-5-2-6-12-18)21-25(22,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h2-17H,1H3,(H,21,22).
What are the key properties of N-diphenoxyphosphoryl-1-phenylethanamine?
N-diphenoxyphosphoryl-1-phenylethanamine has a molecular weight of 353.36 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-1-phenylethanamine is sourced from PubChem (CID 4689320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).