methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate

C90H134N4O24 — CID 11686884

IUPACmethyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate
SMILESCOC(=O)c1cc(C(=O)Nc2cc(NC(=O)c3cc(C(=O)Nc4cc(NC(=O)c5cc(C(=O)OC)c(OCC(C)OCCC(C)C)cc5OCC(C)OCCC(C)C)c(OC)cc4OC)c(OCC(C)OCCC(C)C)cc3OCC(C)OCCC(C)C)c(OC)cc2OC)c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C
InChIInChI=1S/C90H134N4O24/c1-53(2)25-31-107-59(13)47-113-75-42-76(114-48-60(14)108-32-26-54(3)4)66(86(96)92-72-41-74(84(104-22)46-82(72)102-20)94-88(98)68-39-70(90(100)106-24)80(118-52-64(18)112-36-30-58(11)12)44-78(68)116-50-62(16)110-34-28-56(7)8)37-65(75)85(95)91-71-40-73(83(103-21)45-81(71)101-19)93-87(97)67-38-69(89(99)105-23)79(117-51-63(17)111-35-29-57(9)10)43-77(67)115-49-61(15)109-33-27-55(5)6/h37-46,53-64H,25-36,47-52H2,1-24H3,(H,91,95)(H,92,96)(H,93,97)(H,94,98)
InChIKeyPAWXNZRUUANZHY-UHFFFAOYSA-N
MW1656.07 g/mol
LogP17.28
Rot. Bonds56

About methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate

methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate (PubChem CID 11686884) has the molecular formula C90H134N4O24 and a molecular weight of 1656.07 g/mol. Its IUPAC name is methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate
PubChem CID11686884
Molecular FormulaC90H134N4O24
Molecular Weight1656.07 g/mol
Exact Mass1654.94
IUPAC Namemethyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate
SMILESCOC(=O)c1cc(C(=O)Nc2cc(NC(=O)c3cc(C(=O)Nc4cc(NC(=O)c5cc(C(=O)OC)c(OCC(C)OCCC(C)C)cc5OCC(C)OCCC(C)C)c(OC)cc4OC)c(OCC(C)OCCC(C)C)cc3OCC(C)OCCC(C)C)c(OC)cc2OC)c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C
InChIInChI=1S/C90H134N4O24/c1-53(2)25-31-107-59(13)47-113-75-42-76(114-48-60(14)108-32-26-54(3)4)66(86(96)92-72-41-74(84(104-22)46-82(72)102-20)94-88(98)68-39-70(90(100)106-24)80(118-52-64(18)112-36-30-58(11)12)44-78(68)116-50-62(16)110-34-28-56(7)8)37-65(75)85(95)91-71-40-73(83(103-21)45-81(71)101-19)93-87(97)67-38-69(89(99)105-23)79(117-51-63(17)111-35-29-57(9)10)43-77(67)115-49-61(15)109-33-27-55(5)6/h37-46,53-64H,25-36,47-52H2,1-24H3,(H,91,95)(H,92,96)(H,93,97)(H,94,98)
InChIKeyPAWXNZRUUANZHY-UHFFFAOYSA-N
XLogP17.28
TPSA316.68 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds56
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001656.07
LogP ≤ 517.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate with MolForge

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Related Compounds

5-[[5-[[5-[[5-[[5-carboxy-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoic acid
CID 11636773
methyl 4-acetamido-2-(3-methylbutoxy)benzoate
CID 44576528
N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide
CID 82156253
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
methyl 5-[(5-acetyl-2-ethoxyphenyl)carbamoyl]-2-(2-methylpropoxy)benzoate
CID 118626481
2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide
CID 176549581
methyl 4-[[2-hydroxy-5-(2-methylpropyl)benzoyl]amino]-3-methoxybenzoate
CID 118880305
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
N-(3,4-dimethoxyphenyl)-2-(3-methylbutoxy)benzamide
CID 54781407
methyl 5-amino-2-(2-methylpropoxy)benzoate
CID 61307222
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
N-[2,5-bis(3-methylbutoxy)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381231

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate?
The IUPAC name of methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate (CID 11686884) is methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate.
What is the SMILES notation for methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate?
The canonical SMILES for methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate is COC(=O)c1cc(C(=O)Nc2cc(NC(=O)c3cc(C(=O)Nc4cc(NC(=O)c5cc(C(=O)OC)c(OCC(C)OCCC(C)C)cc5OCC(C)OCCC(C)C)c(OC)cc4OC)c(OCC(C)OCCC(C)C)cc3OCC(C)OCCC(C)C)c(OC)cc2OC)c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C.
What is the InChIKey of methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate?
The InChIKey is PAWXNZRUUANZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H134N4O24/c1-53(2)25-31-107-59(13)47-113-75-42-76(114-48-60(14)108-32-26-54(3)4)66(86(96)92-72-41-74(84(104-22)46-82(72)102-20)94-88(98)68-39-70(90(100)106-24)80(118-52-64(18)112-36-30-58(11)12)44-78(68)116-50-62(16)110-34-28-56(7)8)37-65(75)85(95)91-71-40-73(83(103-21)45-81(71)101-19)93-87(97)67-38-69(89(99)105-23)79(117-51-63(17)111-35-29-57(9)10)43-77(67)115-49-61(15)109-33-27-55(5)6/h37-46,53-64H,25-36,47-52H2,1-24H3,(H,91,95)(H,92,96)(H,93,97)(H,94,98).
What are the key properties of methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate?
methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate has a molecular weight of 1656.07 g/mol, XLogP of 17.28, 56 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-[[5-[[2,4-dimethoxy-5-[[5-methoxycarbonyl-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]phenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoyl]amino]-2,4-dimethoxyphenyl]carbamoyl]-2,4-bis[2-(3-methylbutoxy)propoxy]benzoate is sourced from PubChem (CID 11686884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).