2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide

C29H29NO3P2 — CID 166606910

IUPAC2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide
SMILESCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO3P2/c1-2-30(24-35(33,27-19-11-5-12-20-27)28-21-13-6-14-22-28)29(31)23-34(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h3-22H,2,23-24H2,1H3
InChIKeyPNAVHUVTBJYTKD-UHFFFAOYSA-N
MW501.50 g/mol
LogP4.82
Rot. Bonds9

About 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide

2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide (PubChem CID 166606910) has the molecular formula C29H29NO3P2 and a molecular weight of 501.50 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide
PubChem CID166606910
Molecular FormulaC29H29NO3P2
Molecular Weight501.50 g/mol
Exact Mass501.16
IUPAC Name2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide
SMILESCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO3P2/c1-2-30(24-35(33,27-19-11-5-12-20-27)28-21-13-6-14-22-28)29(31)23-34(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h3-22H,2,23-24H2,1H3
InChIKeyPNAVHUVTBJYTKD-UHFFFAOYSA-N
XLogP4.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
Methylamine, N,N-bis(2-diphenylphosphinoethyl)-
CID 604044
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
Acetamide, N,N-dimethyl-2-(triphenylphosphoranylidene)-
CID 11046257
2-(Diphenylphosphoryl)-N,N-bis(2-methylpropyl)acetamide
CID 13972021
2-(Diphenylphosphoryl)-N,N-dimethylacetamide
CID 14897379

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide (CID 166606910) is 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide is CCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide?
The InChIKey is PNAVHUVTBJYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3P2/c1-2-30(24-35(33,27-19-11-5-12-20-27)28-21-13-6-14-22-28)29(31)23-34(32,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h3-22H,2,23-24H2,1H3.
What are the key properties of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide?
2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-ethylacetamide has a molecular weight of 501.50 g/mol, XLogP of 4.82, 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-ethylacetamide is sourced from PubChem (CID 166606910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).