2-diphenylphosphanyl-N-octadecylpropanamide

C33H52NOP — CID 70485100

IUPAC2-diphenylphosphanyl-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52NOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-34-33(35)30(2)36(31-25-20-18-21-26-31)32-27-22-19-23-28-32/h18-23,25-28,30H,3-17,24,29H2,1-2H3,(H,34,35)
InChIKeyQOOKDFLCAYAWDE-UHFFFAOYSA-N
MW509.76 g/mol
LogP8.89
Rot. Bonds21

About 2-diphenylphosphanyl-N-octadecylpropanamide

2-diphenylphosphanyl-N-octadecylpropanamide (PubChem CID 70485100) has the molecular formula C33H52NOP and a molecular weight of 509.76 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N-octadecylpropanamide.

Molecular Properties

Compound Name2-diphenylphosphanyl-N-octadecylpropanamide
PubChem CID70485100
Molecular FormulaC33H52NOP
Molecular Weight509.76 g/mol
Exact Mass509.38
IUPAC Name2-diphenylphosphanyl-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52NOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-34-33(35)30(2)36(31-25-20-18-21-26-31)32-27-22-19-23-28-32/h18-23,25-28,30H,3-17,24,29H2,1-2H3,(H,34,35)
InChIKeyQOOKDFLCAYAWDE-UHFFFAOYSA-N
XLogP8.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-diphenylphosphanyl-N-octadecylpropanamide 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 2-diphenylphosphanyl-N-octadecylpropanamide?
The IUPAC name of 2-diphenylphosphanyl-N-octadecylpropanamide (CID 70485100) is 2-diphenylphosphanyl-N-octadecylpropanamide.
What is the SMILES notation for 2-diphenylphosphanyl-N-octadecylpropanamide?
The canonical SMILES for 2-diphenylphosphanyl-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCNC(=O)C(C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N-octadecylpropanamide?
The InChIKey is QOOKDFLCAYAWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52NOP/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-34-33(35)30(2)36(31-25-20-18-21-26-31)32-27-22-19-23-28-32/h18-23,25-28,30H,3-17,24,29H2,1-2H3,(H,34,35).
What are the key properties of 2-diphenylphosphanyl-N-octadecylpropanamide?
2-diphenylphosphanyl-N-octadecylpropanamide has a molecular weight of 509.76 g/mol, XLogP of 8.89, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N-octadecylpropanamide is sourced from PubChem (CID 70485100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).