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

C60H68N4O10P2 — CID 170545349

IUPACN'-[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
SMILESCCC(C)(COCC(C)NC(=O)C(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C)COCC(C)NC(=O)C(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C60H68N4O10P2/c1-11-60(10,36-73-34-42(6)61-54(65)56(67)63-52-40(4)32-38(2)50(44(52)8)58(69)75(71,46-24-16-12-17-25-46)47-26-18-13-19-27-47)37-74-35-43(7)62-55(66)57(68)64-53-41(5)33-39(3)51(45(53)9)59(70)76(72,48-28-20-14-21-29-48)49-30-22-15-23-31-49/h12-33,42-43H,11,34-37H2,1-10H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68)
InChIKeyDGLVESYUKVKEKO-UHFFFAOYSA-N
MW1067.17 g/mol
LogP8.88
Rot. Bonds21

About 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

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 (PubChem CID 170545349) has the molecular formula C60H68N4O10P2 and a molecular weight of 1067.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN'-[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
PubChem CID170545349
Molecular FormulaC60H68N4O10P2
Molecular Weight1067.17 g/mol
Exact Mass1066.44
IUPAC NameN'-[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
SMILESCCC(C)(COCC(C)NC(=O)C(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C)COCC(C)NC(=O)C(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C60H68N4O10P2/c1-11-60(10,36-73-34-42(6)61-54(65)56(67)63-52-40(4)32-38(2)50(44(52)8)58(69)75(71,46-24-16-12-17-25-46)47-26-18-13-19-27-47)37-74-35-43(7)62-55(66)57(68)64-53-41(5)33-39(3)51(45(53)9)59(70)76(72,48-28-20-14-21-29-48)49-30-22-15-23-31-49/h12-33,42-43H,11,34-37H2,1-10H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68)
InChIKeyDGLVESYUKVKEKO-UHFFFAOYSA-N
XLogP8.88
TPSA203.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.17
LogP ≤ 58.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-ethoxyacetamide
CID 177063113
[1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylanilino)-2-methyl-1-oxopropan-2-yl] ethanedithioate
CID 155346737
[1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylanilino)-2-methyl-1-oxopropan-2-yl]sulfanylmethanedithioic acid
CID 156569537
2,2-bis[[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetyl]oxymethyl]butyl 2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetate
CID 138551163
N-butyl-N'-[3-[ethoxy(phenyl)phosphoryl]carbonyl-2,4,6-trimethylphenyl]oxamide
CID 146277873
1-[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetyl]oxyethyl 2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenoxy)acetate
CID 155602654
[4-[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methoxy]-2-ethyl-2-methylbutyl] (E)-4-methylhex-2-enoate
CID 144597412
1-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)hexadecan-1-one
CID 163214038
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
tetrakis[3-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-3-oxopropyl] naphthalene-1,4,5,8-tetracarboxylate
CID 140903511
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
tris[2-(3-diphenylphosphorylcarbonyl-2,4,6-trimethylphenyl)-2-oxoethyl] benzene-1,3,5-tricarboxylate
CID 140903590

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)(COCC(C)NC(=O)C(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C)COCC(C)NC(=O)C(=O)Nc1c(C)cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 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?
The InChIKey is DGLVESYUKVKEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68N4O10P2/c1-11-60(10,36-73-34-42(6)61-54(65)56(67)63-52-40(4)32-38(2)50(44(52)8)58(69)75(71,46-24-16-12-17-25-46)47-26-18-13-19-27-47)37-74-35-43(7)62-55(66)57(68)64-53-41(5)33-39(3)51(45(53)9)59(70)76(72,48-28-20-14-21-29-48)49-30-22-15-23-31-49/h12-33,42-43H,11,34-37H2,1-10H3,(H,61,65)(H,62,66)(H,63,67)(H,64,68).
What are the key properties of 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?
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 has a molecular weight of 1067.17 g/mol, XLogP of 8.88, 21 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170545349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).