N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide

C131H180F6N9O25P3 — CID 164988983

About N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide

N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 164988983) has the molecular formula C131H180F6N9O25P3 and a molecular weight of 2487.83 g/mol. Its IUPAC name is N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide
• PubChem CID: 164988983
• Molecular Formula: C131H180F6N9O25P3
• Molecular Weight: 2487.83 g/mol
• Exact Mass: 2486.22
• IUPAC Name: N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide
• SMILES: [C-]#[N+]CCOP(OC1C(C)C(CC)OC(OCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1NC(=O)C(F)(F)F)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOC1C(C)C(CC)OC(OCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1NC(=O)C(F)(F)F)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOC1C(C)C(CC)OC(OCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1NC(C)C)N(C(C)C)C(C)C
• InChI: InChI=1S/C45H66N3O8P.C44H59F3N3O9P.C42H55F3N3O8P/c1-12-41-35(8)43(51-29-31-55-57(54-27-26-46-9)48(33(4)5)34(6)7)42(47-32(2)3)44(56-41)52-28-30-53-45(36-16-14-13-15-17-36,37-18-22-39(49-10)23-19-37)38-20-24-40(50-11)25-21-38;1-10-38-32(6)40(54-27-29-58-60(57-25-24-48-7)50(30(2)3)31(4)5)39(49-42(51)44(45,46)47)41(59-38)55-26-28-56-43(33-14-12-11-13-15-33,34-16-20-36(52-8)21-17-34)35-18-22-37(53-9)23-19-35;1-10-36-30(6)38(56-57(54-25-24-46-7)48(28(2)3)29(4)5)37(47-40(49)42(43,44)45)39(55-36)52-26-27-53-41(31-14-12-11-13-15-31,32-16-20-34(50-8)21-17-32)33-18-22-35(51-9)23-19-33/h13-25,32-35,41-44,47H,12,26-31H2,1-8,10-11H3;11-23,30-32,38-41H,10,24-29H2,1-6,8-9H3,(H,49,51);11-23,28-30,36-39H,10,24-27H2,1-6,8-9H3,(H,47,49)
• InChIKey: GORBNLZSUGDADJ-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 305.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 67
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2487.83
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide (CID 164988983) is N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide is [C-]#[N+]CCOP(OC1C(C)C(CC)OC(OCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1NC(=O)C(F)(F)F)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOC1C(C)C(CC)OC(OCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1NC(=O)C(F)(F)F)N(C(C)C)C(C)C.[C-]#[N+]CCOP(OCCOC1C(C)C(CC)OC(OCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1NC(C)C)N(C(C)C)C(C)C.

What is the InChIKey of N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide?

The InChIKey is GORBNLZSUGDADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H66N3O8P.C44H59F3N3O9P.C42H55F3N3O8P/c1-12-41-35(8)43(51-29-31-55-57(54-27-26-46-9)48(33(4)5)34(6)7)42(47-32(2)3)44(56-41)52-28-30-53-45(36-16-14-13-15-17-36,37-18-22-39(49-10)23-19-37)38-20-24-40(50-11)25-21-38;1-10-38-32(6)40(54-27-29-58-60(57-25-24-48-7)50(30(2)3)31(4)5)39(49-42(51)44(45,46)47)41(59-38)55-26-28-56-43(33-14-12-11-13-15-33,34-16-20-36(52-8)21-17-34)35-18-22-37(53-9)23-19-35;1-10-36-30(6)38(56-57(54-25-24-46-7)48(28(2)3)29(4)5)37(47-40(49)42(43,44)45)39(55-36)52-26-27-53-41(31-14-12-11-13-15-31,32-16-20-34(50-8)21-17-32)33-18-22-35(51-9)23-19-33/h13-25,32-35,41-44,47H,12,26-31H2,1-8,10-11H3;11-23,30-32,38-41H,10,24-29H2,1-6,8-9H3,(H,49,51);11-23,28-30,36-39H,10,24-27H2,1-6,8-9H3,(H,47,49).

What are the key properties of N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide?

N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 2487.83 g/mol, XLogP of 25.89, 67 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide;2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[2-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxyethoxy]-6-ethyl-5-methyl-N-propan-2-yloxan-3-amine;N-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]-4-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]oxy-6-ethyl-5-methyloxan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 164988983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).