3-diphenylphosphanyl-N-octadecylpropanamide

C33H52NOP — CID 54006098

IUPAC3-diphenylphosphanyl-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52NOP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-33(35)28-30-36(31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3,(H,34,35)
InChIKeyKOZFETSRXNYJCK-UHFFFAOYSA-N
MW509.76 g/mol
LogP8.89
Rot. Bonds22

About 3-diphenylphosphanyl-N-octadecylpropanamide

3-diphenylphosphanyl-N-octadecylpropanamide (PubChem CID 54006098) has the molecular formula C33H52NOP and a molecular weight of 509.76 g/mol. Its IUPAC name is 3-diphenylphosphanyl-N-octadecylpropanamide.

Molecular Properties

Compound Name3-diphenylphosphanyl-N-octadecylpropanamide
PubChem CID54006098
Molecular FormulaC33H52NOP
Molecular Weight509.76 g/mol
Exact Mass509.38
IUPAC Name3-diphenylphosphanyl-N-octadecylpropanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H52NOP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-33(35)28-30-36(31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3,(H,34,35)
InChIKeyKOZFETSRXNYJCK-UHFFFAOYSA-N
XLogP8.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanyl-N-octadecylpropanamide?
The IUPAC name of 3-diphenylphosphanyl-N-octadecylpropanamide (CID 54006098) is 3-diphenylphosphanyl-N-octadecylpropanamide.
What is the SMILES notation for 3-diphenylphosphanyl-N-octadecylpropanamide?
The canonical SMILES for 3-diphenylphosphanyl-N-octadecylpropanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanyl-N-octadecylpropanamide?
The InChIKey is KOZFETSRXNYJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52NOP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-34-33(35)28-30-36(31-24-19-17-20-25-31)32-26-21-18-22-27-32/h17-22,24-27H,2-16,23,28-30H2,1H3,(H,34,35).
What are the key properties of 3-diphenylphosphanyl-N-octadecylpropanamide?
3-diphenylphosphanyl-N-octadecylpropanamide has a molecular weight of 509.76 g/mol, XLogP of 8.89, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanyl-N-octadecylpropanamide is sourced from PubChem (CID 54006098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).