3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide

C31H32N2O4P2 — CID 170984210

IUPAC3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide
SMILESO=C(CCP(=O)(c1ccccc1)c1ccccc1)NCNC(=O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N2O4P2/c34-30(21-23-38(36,26-13-5-1-6-14-26)27-15-7-2-8-16-27)32-25-33-31(35)22-24-39(37,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20H,21-25H2,(H,32,34)(H,33,35)
InChIKeyKGKHRBCXUVZIIL-UHFFFAOYSA-N
MW558.56 g/mol
LogP3.98
Rot. Bonds12

About 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide

3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide (PubChem CID 170984210) has the molecular formula C31H32N2O4P2 and a molecular weight of 558.56 g/mol. Its IUPAC name is 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide.

Molecular Properties

Compound Name3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide
PubChem CID170984210
Molecular FormulaC31H32N2O4P2
Molecular Weight558.56 g/mol
Exact Mass558.18
IUPAC Name3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide
SMILESO=C(CCP(=O)(c1ccccc1)c1ccccc1)NCNC(=O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N2O4P2/c34-30(21-23-38(36,26-13-5-1-6-14-26)27-15-7-2-8-16-27)32-25-33-31(35)22-24-39(37,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20H,21-25H2,(H,32,34)(H,33,35)
InChIKeyKGKHRBCXUVZIIL-UHFFFAOYSA-N
XLogP3.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.56
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide?
The IUPAC name of 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide (CID 170984210) is 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide.
What is the SMILES notation for 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide?
The canonical SMILES for 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide is O=C(CCP(=O)(c1ccccc1)c1ccccc1)NCNC(=O)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide?
The InChIKey is KGKHRBCXUVZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4P2/c34-30(21-23-38(36,26-13-5-1-6-14-26)27-15-7-2-8-16-27)32-25-33-31(35)22-24-39(37,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20H,21-25H2,(H,32,34)(H,33,35).
What are the key properties of 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide?
3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide has a molecular weight of 558.56 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-N-[(3-diphenylphosphorylpropanoylamino)methyl]propanamide is sourced from PubChem (CID 170984210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).