ethyl 2-[bis(diphenylphosphanyl)amino]acetate

C28H27NO2P2 — CID 102435267

IUPACethyl 2-[bis(diphenylphosphanyl)amino]acetate
SMILESCCOC(=O)CN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NO2P2/c1-2-31-28(30)23-29(32(24-15-7-3-8-16-24)25-17-9-4-10-18-25)33(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyQAZOAHOQWCUQQG-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.95
Rot. Bonds9

About ethyl 2-[bis(diphenylphosphanyl)amino]acetate

ethyl 2-[bis(diphenylphosphanyl)amino]acetate (PubChem CID 102435267) has the molecular formula C28H27NO2P2 and a molecular weight of 471.48 g/mol. Its IUPAC name is ethyl 2-[bis(diphenylphosphanyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(diphenylphosphanyl)amino]acetate
PubChem CID102435267
Molecular FormulaC28H27NO2P2
Molecular Weight471.48 g/mol
Exact Mass471.15
IUPAC Nameethyl 2-[bis(diphenylphosphanyl)amino]acetate
SMILESCCOC(=O)CN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NO2P2/c1-2-31-28(30)23-29(32(24-15-7-3-8-16-24)25-17-9-4-10-18-25)33(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyQAZOAHOQWCUQQG-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.95
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 ethyl 2-[bis(diphenylphosphanyl)amino]acetate?
The IUPAC name of ethyl 2-[bis(diphenylphosphanyl)amino]acetate (CID 102435267) is ethyl 2-[bis(diphenylphosphanyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bis(diphenylphosphanyl)amino]acetate?
The canonical SMILES for ethyl 2-[bis(diphenylphosphanyl)amino]acetate is CCOC(=O)CN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-[bis(diphenylphosphanyl)amino]acetate?
The InChIKey is QAZOAHOQWCUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2P2/c1-2-31-28(30)23-29(32(24-15-7-3-8-16-24)25-17-9-4-10-18-25)33(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3.
What are the key properties of ethyl 2-[bis(diphenylphosphanyl)amino]acetate?
ethyl 2-[bis(diphenylphosphanyl)amino]acetate has a molecular weight of 471.48 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(diphenylphosphanyl)amino]acetate is sourced from PubChem (CID 102435267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).