2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide

C29H29NO3P2 — CID 155490784

IUPAC2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide
SMILESCN(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO3P2/c1-30(22-23-34(32,25-14-6-2-7-15-25)26-16-8-3-9-17-26)29(31)24-35(33,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21H,22-24H2,1H3
InChIKeyGOWCHJLUGOFSRR-UHFFFAOYSA-N
MW501.50 g/mol
LogP4.47
Rot. Bonds9

About 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide

2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide (PubChem CID 155490784) has the molecular formula C29H29NO3P2 and a molecular weight of 501.50 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide
PubChem CID155490784
Molecular FormulaC29H29NO3P2
Molecular Weight501.50 g/mol
Exact Mass501.16
IUPAC Name2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide
SMILESCN(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H29NO3P2/c1-30(22-23-34(32,25-14-6-2-7-15-25)26-16-8-3-9-17-26)29(31)24-35(33,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21H,22-24H2,1H3
InChIKeyGOWCHJLUGOFSRR-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-diphenylphosphorylethyl)-N-methylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide (CID 155490784) is 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide is CN(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide?
The InChIKey is GOWCHJLUGOFSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3P2/c1-30(22-23-34(32,25-14-6-2-7-15-25)26-16-8-3-9-17-26)29(31)24-35(33,27-18-10-4-11-19-27)28-20-12-5-13-21-28/h2-21H,22-24H2,1H3.
What are the key properties of 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide?
2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide has a molecular weight of 501.50 g/mol, XLogP of 4.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-(2-diphenylphosphorylethyl)-N-methylacetamide is sourced from PubChem (CID 155490784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).