2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide

C30H31NO3P2 — CID 166606918

IUPAC2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO3P2/c1-25(2)31(24-36(34,28-19-11-5-12-20-28)29-21-13-6-14-22-29)30(32)23-35(33,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h3-22,25H,23-24H2,1-2H3
InChIKeyKXEVGRDFNCVDIL-UHFFFAOYSA-N
MW515.53 g/mol
LogP5.21
Rot. Bonds9

About 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide

2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide (PubChem CID 166606918) has the molecular formula C30H31NO3P2 and a molecular weight of 515.53 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide
PubChem CID166606918
Molecular FormulaC30H31NO3P2
Molecular Weight515.53 g/mol
Exact Mass515.18
IUPAC Name2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H31NO3P2/c1-25(2)31(24-36(34,28-19-11-5-12-20-28)29-21-13-6-14-22-29)30(32)23-35(33,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h3-22,25H,23-24H2,1-2H3
InChIKeyKXEVGRDFNCVDIL-UHFFFAOYSA-N
XLogP5.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.53
LogP ≤ 55.21
H-Bond Donors ≤ 50
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 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide (CID 166606918) is 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide is CC(C)N(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide?
The InChIKey is KXEVGRDFNCVDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO3P2/c1-25(2)31(24-36(34,28-19-11-5-12-20-28)29-21-13-6-14-22-29)30(32)23-35(33,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h3-22,25H,23-24H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide?
2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide has a molecular weight of 515.53 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 166606918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).