3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

C153H192N14O28P4 — CID 160965500

About 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile (PubChem CID 160965500) has the molecular formula C153H192N14O28P4 and a molecular weight of 2799.18 g/mol. Its IUPAC name is 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile.

Molecular Properties

• Compound Name: 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
• PubChem CID: 160965500
• Molecular Formula: C153H192N14O28P4
• Molecular Weight: 2799.18 g/mol
• Exact Mass: 2797.30
• IUPAC Name: 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
• SMILES: COc1ccc(C(OCC(C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2cc(C)c(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(C)c3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)n(C)c3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C41H51N4O8P.C40H49N4O8P.C39H49N4O7P.C33H43N2O5P/c1-28(2)45(29(3)4)54(51-24-12-23-42)53-36-25-38(44-26-30(5)39(46)43(6)40(44)47)52-37(36)27-50-41(31-13-10-9-11-14-31,32-15-19-34(48-7)20-16-32)33-17-21-35(49-8)22-18-33;1-28(2)44(29(3)4)53(50-25-11-23-41)52-35-26-38(43-24-22-37(45)42(5)39(43)46)51-36(35)27-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32;1-28(2)43(29(3)4)51(49-24-12-23-40)50-36(26-42-25-30(5)37(44)41(6)38(42)45)27-48-39(31-13-10-9-11-14-31,32-15-19-34(46-7)20-16-32)33-17-21-35(47-8)22-18-33;1-25(2)35(26(3)4)41(39-23-11-22-34)40-27(5)24-38-33(28-12-9-8-10-13-28,29-14-18-31(36-6)19-15-29)30-16-20-32(37-7)21-17-30/h9-11,13-22,26,28-29,36-38H,12,24-25,27H2,1-8H3;8-10,12-22,24,28-29,35-36,38H,11,25-27H2,1-7H3;9-11,13-22,25,28-29,36H,12,24,26-27H2,1-8H3;8-10,12-21,25-27H,11,23-24H2,1-7H3/t36-,37-,38-,54?;35-,36-,38-,53?;;/m11../s1
• InChIKey: SXOJLXNDVZHLFL-BZNJUFFKSA-N
• XLogP: 27.59
• TPSA: 443.18 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 68
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2799.18
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?

The IUPAC name of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile (CID 160965500) is 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile.

What is the SMILES notation for 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?

The canonical SMILES for 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile is COc1ccc(C(OCC(C)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCC(Cn2cc(C)c(=O)n(C)c2=O)OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)n(C)c3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)n(C)c3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?

The InChIKey is SXOJLXNDVZHLFL-BZNJUFFKSA-N. The full InChI is InChI=1S/C41H51N4O8P.C40H49N4O8P.C39H49N4O7P.C33H43N2O5P/c1-28(2)45(29(3)4)54(51-24-12-23-42)53-36-25-38(44-26-30(5)39(46)43(6)40(44)47)52-37(36)27-50-41(31-13-10-9-11-14-31,32-15-19-34(48-7)20-16-32)33-17-21-35(49-8)22-18-33;1-28(2)44(29(3)4)53(50-25-11-23-41)52-35-26-38(43-24-22-37(45)42(5)39(43)46)51-36(35)27-49-40(30-12-9-8-10-13-30,31-14-18-33(47-6)19-15-31)32-16-20-34(48-7)21-17-32;1-28(2)43(29(3)4)51(49-24-12-23-40)50-36(26-42-25-30(5)37(44)41(6)38(42)45)27-48-39(31-13-10-9-11-14-31,32-15-19-34(46-7)20-16-32)33-17-21-35(47-8)22-18-33;1-25(2)35(26(3)4)41(39-23-11-22-34)40-27(5)24-38-33(28-12-9-8-10-13-28,29-14-18-31(36-6)19-15-29)30-16-20-32(37-7)21-17-30/h9-11,13-22,26,28-29,36-38H,12,24-25,27H2,1-8H3;8-10,12-22,24,28-29,35-36,38H,11,25-27H2,1-7H3;9-11,13-22,25,28-29,36H,12,24,26-27H2,1-8H3;8-10,12-21,25-27H,11,23-24H2,1-7H3/t36-,37-,38-,54?;35-,36-,38-,53?;;/m11../s1.

What are the key properties of 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile?

3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile has a molecular weight of 2799.18 g/mol, XLogP of 27.59, 68 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)propan-2-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[[(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(3-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile;3-[1-[bis(4-methoxyphenyl)-phenylmethoxy]propan-2-yloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile is sourced from PubChem (CID 160965500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).