[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol

C165H185N13O20 — CID 159170670

About [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol

[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol (PubChem CID 159170670) has the molecular formula C165H185N13O20 and a molecular weight of 2670.37 g/mol. Its IUPAC name is [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol.

Molecular Properties

• Compound Name: [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol
• PubChem CID: 159170670
• Molecular Formula: C165H185N13O20
• Molecular Weight: 2670.37 g/mol
• Exact Mass: 2668.39
• IUPAC Name: [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol
• SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCO.Cc1ccc(C(CC(=O)CCC(=O)OC[C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)c2ccc(C)cc2)cc1.Cc1ccc(C(CC(=O)CCC(=O)OC[C@@H]2CNC[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)c2ccc(C)cc2)cc1.Cc1ccc(C(N)c2ccc(C)cc2)cc1.O=C(O)CCC(=O)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1
• InChI: InChI=1S/C55H52N4O6.C39H36N4O7.C36H38N4O6.C20H42O.C15H17N/c1-39-23-27-41(28-24-39)49(42-29-25-40(2)26-30-42)35-47(60)31-32-52(61)64-38-48-36-58(37-51(65-48)59-34-33-50(57-54(59)63)56-53(62)43-15-7-3-8-16-43)55(44-17-9-4-10-18-44,45-19-11-5-12-20-45)46-21-13-6-14-22-46;44-35(45)21-22-36(46)49-27-32-25-42(26-34(50-32)43-24-23-33(41-38(43)48)40-37(47)28-13-5-1-6-14-28)39(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31;1-24-8-12-26(13-9-24)31(27-14-10-25(2)11-15-27)20-29(41)16-17-34(42)45-23-30-21-37-22-33(46-30)40-19-18-32(39-36(40)44)38-35(43)28-6-4-3-5-7-28;1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-30,33-34,48-49,51H,31-32,35-38H2,1-2H3,(H,56,57,62,63);1-20,23-24,32,34H,21-22,25-27H2,(H,44,45)(H,40,41,47,48);3-15,18-19,30-31,33,37H,16-17,20-23H2,1-2H3,(H,38,39,43,44);17-21H,6-16H2,1-5H3;3-10,15H,16H2,1-2H3/t48-,51+;32-,34+;30-,33+;;/m000../s1
• InChIKey: KLQKZBMLJONWBO-HSWCKPBVSA-N
• XLogP: 29.02
• TPSA: 434.76 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 56
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2670.37
LogP ≤ 5	29.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol?

The IUPAC name of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol (CID 159170670) is [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol.

What is the SMILES notation for [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol?

The canonical SMILES for [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCO.Cc1ccc(C(CC(=O)CCC(=O)OC[C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)c2ccc(C)cc2)cc1.Cc1ccc(C(CC(=O)CCC(=O)OC[C@@H]2CNC[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)O2)c2ccc(C)cc2)cc1.Cc1ccc(C(N)c2ccc(C)cc2)cc1.O=C(O)CCC(=O)OC[C@@H]1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O1.

What is the InChIKey of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol?

The InChIKey is KLQKZBMLJONWBO-HSWCKPBVSA-N. The full InChI is InChI=1S/C55H52N4O6.C39H36N4O7.C36H38N4O6.C20H42O.C15H17N/c1-39-23-27-41(28-24-39)49(42-29-25-40(2)26-30-42)35-47(60)31-32-52(61)64-38-48-36-58(37-51(65-48)59-34-33-50(57-54(59)63)56-53(62)43-15-7-3-8-16-43)55(44-17-9-4-10-18-44,45-19-11-5-12-20-45)46-21-13-6-14-22-46;44-35(45)21-22-36(46)49-27-32-25-42(26-34(50-32)43-24-23-33(41-38(43)48)40-37(47)28-13-5-1-6-14-28)39(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31;1-24-8-12-26(13-9-24)31(27-14-10-25(2)11-15-27)20-29(41)16-17-34(42)45-23-30-21-37-22-33(46-30)40-19-18-32(39-36(40)44)38-35(43)28-6-4-3-5-7-28;1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-30,33-34,48-49,51H,31-32,35-38H2,1-2H3,(H,56,57,62,63);1-20,23-24,32,34H,21-22,25-27H2,(H,44,45)(H,40,41,47,48);3-15,18-19,30-31,33,37H,16-17,20-23H2,1-2H3,(H,38,39,43,44);17-21H,6-16H2,1-5H3;3-10,15H,16H2,1-2H3/t48-,51+;32-,34+;30-,33+;;/m000../s1.

What are the key properties of [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol?

[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol has a molecular weight of 2670.37 g/mol, XLogP of 29.02, 56 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)morpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;4-[[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methoxy]-4-oxobutanoic acid;[(2S,6R)-6-(4-benzamido-2-oxopyrimidin-1-yl)-4-tritylmorpholin-2-yl]methyl 6,6-bis(4-methylphenyl)-4-oxohexanoate;bis(4-methylphenyl)methanamine;3,7,11,15-tetramethylhexadecan-1-ol is sourced from PubChem (CID 159170670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).