N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide

C46H56N5O9P — CID 71212784

About N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide

N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide (PubChem CID 71212784) has the molecular formula C46H56N5O9P and a molecular weight of 853.95 g/mol. Its IUPAC name is N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide
• PubChem CID: 71212784
• Molecular Formula: C46H56N5O9P
• Molecular Weight: 853.95 g/mol
• Exact Mass: 853.38
• IUPAC Name: N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide
• SMILES: CCCOP(O[C@@H]1C[C@H](n2cnc(NC(=O)COc3ccccc3)nc2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C
• InChI: InChI=1S/C46H56N5O9P/c1-8-27-58-61(51(32(2)3)33(4)5)60-40-28-43(50-31-47-44(49-45(50)53)48-42(52)30-56-39-17-13-10-14-18-39)59-41(40)29-57-46(34-15-11-9-12-16-34,35-19-23-37(54-6)24-20-35)36-21-25-38(55-7)26-22-36/h9-26,31-33,40-41,43H,8,27-30H2,1-7H3,(H,48,49,52,53)/t40-,41-,43-,61?/m1/s1
• InChIKey: CSKJSKXLEBJKNB-WYWSWEFRSA-N
• XLogP: 8.13
• TPSA: 144.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	853.95
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?

The IUPAC name of N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide (CID 71212784) is N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide.

What is the SMILES notation for N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?

The canonical SMILES for N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide is CCCOP(O[C@@H]1C[C@H](n2cnc(NC(=O)COc3ccccc3)nc2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)N(C(C)C)C(C)C.

What is the InChIKey of N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?

The InChIKey is CSKJSKXLEBJKNB-WYWSWEFRSA-N. The full InChI is InChI=1S/C46H56N5O9P/c1-8-27-58-61(51(32(2)3)33(4)5)60-40-28-43(50-31-47-44(49-45(50)53)48-42(52)30-56-39-17-13-10-14-18-39)59-41(40)29-57-46(34-15-11-9-12-16-34,35-19-23-37(54-6)24-20-35)36-21-25-38(55-7)26-22-36/h9-26,31-33,40-41,43H,8,27-30H2,1-7H3,(H,48,49,52,53)/t40-,41-,43-,61?/m1/s1.

What are the key properties of N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?

N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide has a molecular weight of 853.95 g/mol, XLogP of 8.13, 21 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 71212784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).