N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

C28H29N2O4P — CID 91056343

IUPACN-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
SMILESCN(CCOC(C)(c1ccccc1)c1ccccn1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H29N2O4P/c1-28(24-14-6-3-7-15-24,27-20-12-13-21-29-27)32-23-22-30(2)35(31,33-25-16-8-4-9-17-25)34-26-18-10-5-11-19-26/h3-21H,22-23H2,1-2H3
InChIKeyVGLQOZNTVJLFBV-UHFFFAOYSA-N
MW488.52 g/mol
LogP6.56
Rot. Bonds11

About N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine (PubChem CID 91056343) has the molecular formula C28H29N2O4P and a molecular weight of 488.52 g/mol. Its IUPAC name is N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine.

Molecular Properties

Compound NameN-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
PubChem CID91056343
Molecular FormulaC28H29N2O4P
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC NameN-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
SMILESCN(CCOC(C)(c1ccccc1)c1ccccn1)P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C28H29N2O4P/c1-28(24-14-6-3-7-15-24,27-20-12-13-21-29-27)32-23-22-30(2)35(31,33-25-16-8-4-9-17-25)34-26-18-10-5-11-19-26/h3-21H,22-23H2,1-2H3
InChIKeyVGLQOZNTVJLFBV-UHFFFAOYSA-N
XLogP6.56
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
The IUPAC name of N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine (CID 91056343) is N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine.
What is the SMILES notation for N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
The canonical SMILES for N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine is CN(CCOC(C)(c1ccccc1)c1ccccn1)P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
The InChIKey is VGLQOZNTVJLFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N2O4P/c1-28(24-14-6-3-7-15-24,27-20-12-13-21-29-27)32-23-22-30(2)35(31,33-25-16-8-4-9-17-25)34-26-18-10-5-11-19-26/h3-21H,22-23H2,1-2H3.
What are the key properties of N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine has a molecular weight of 488.52 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine is sourced from PubChem (CID 91056343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).