N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide

C26H28NO4P — CID 177063113

IUPACN-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H28NO4P/c1-5-31-17-23(28)27-25-19(3)16-18(2)24(20(25)4)26(29)32(30,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16H,5,17H2,1-4H3,(H,27,28)
InChIKeyFZTHDJBAVFOPMS-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.74
Rot. Bonds8

About N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide

N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide (PubChem CID 177063113) has the molecular formula C26H28NO4P and a molecular weight of 449.49 g/mol. Its IUPAC name is N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide
PubChem CID177063113
Molecular FormulaC26H28NO4P
Molecular Weight449.49 g/mol
Exact Mass449.18
IUPAC NameN-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C26H28NO4P/c1-5-31-17-23(28)27-25-19(3)16-18(2)24(20(25)4)26(29)32(30,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16H,5,17H2,1-4H3,(H,27,28)
InChIKeyFZTHDJBAVFOPMS-UHFFFAOYSA-N
XLogP4.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-[2-[2-[[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylanilino)-2-oxoacetyl]amino]propoxymethyl]-2-methylbutoxy]propan-2-yl]-N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)oxamide
CID 170545349
N-butyl-N'-[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]oxamide
CID 146277873
[1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylanilino)-2-methyl-1-oxopropan-2-yl]sulfanylmethanedithioic acid
CID 156569537
1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)hexadecan-1-one
CID 163214038
tris[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate
CID 140903590
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
2,2-bis[[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetyl]oxymethyl]butyl 2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetate
CID 138551163
1-[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetyl]oxyethyl 2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetate
CID 155602654
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]-phenylmethanone
CID 118237088
tetrakis[3-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-3-oxopropyl] naphthalene-1,4,5,8-tetracarboxylate
CID 140903511

Frequently Asked Questions

What is the IUPAC name of N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide?
The IUPAC name of N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide (CID 177063113) is N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide?
The canonical SMILES for N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide is CCOCC(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide?
The InChIKey is FZTHDJBAVFOPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28NO4P/c1-5-31-17-23(28)27-25-19(3)16-18(2)24(20(25)4)26(29)32(30,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-16H,5,17H2,1-4H3,(H,27,28).
What are the key properties of N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide?
N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide has a molecular weight of 449.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide is sourced from PubChem (CID 177063113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).