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

C88H130N4O24 — CID 11636773

IUPAC5-[[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
SMILESCOc1cc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(NC(=O)c4cc(C(=O)O)c(OCC(C)OCCC(C)C)cc4OCC(C)OCCC(C)C)c(OC)cc3OC)c(OCC(C)OCCC(C)C)cc2OCC(C)OCCC(C)C)cc1NC(=O)c1cc(C(=O)O)c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C
InChIInChI=1S/C88H130N4O24/c1-51(2)23-29-105-57(13)45-111-73-40-74(112-46-58(14)106-30-24-52(3)4)64(84(94)90-70-39-72(82(104-22)44-80(70)102-20)92-86(96)66-37-68(88(99)100)78(116-50-62(18)110-34-28-56(11)12)42-76(66)114-48-60(16)108-32-26-54(7)8)35-63(73)83(93)89-69-38-71(81(103-21)43-79(69)101-19)91-85(95)65-36-67(87(97)98)77(115-49-61(17)109-33-27-55(9)10)41-75(65)113-47-59(15)107-31-25-53(5)6/h35-44,51-62H,23-34,45-50H2,1-22H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)(H,97,98)(H,99,100)
InChIKeyCXYIDQNCZFLABS-UHFFFAOYSA-N
MW1628.01 g/mol
LogP17.11
Rot. Bonds56

About 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

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 (PubChem CID 11636773) has the molecular formula C88H130N4O24 and a molecular weight of 1628.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID11636773
Molecular FormulaC88H130N4O24
Molecular Weight1628.01 g/mol
Exact Mass1626.91
IUPAC Name5-[[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
SMILESCOc1cc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(NC(=O)c4cc(C(=O)O)c(OCC(C)OCCC(C)C)cc4OCC(C)OCCC(C)C)c(OC)cc3OC)c(OCC(C)OCCC(C)C)cc2OCC(C)OCCC(C)C)cc1NC(=O)c1cc(C(=O)O)c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C
InChIInChI=1S/C88H130N4O24/c1-51(2)23-29-105-57(13)45-111-73-40-74(112-46-58(14)106-30-24-52(3)4)64(84(94)90-70-39-72(82(104-22)44-80(70)102-20)92-86(96)66-37-68(88(99)100)78(116-50-62(18)110-34-28-56(11)12)42-76(66)114-48-60(16)108-32-26-54(7)8)35-63(73)83(93)89-69-38-71(81(103-21)43-79(69)101-19)91-85(95)65-36-67(87(97)98)77(115-49-61(17)109-33-27-55(9)10)41-75(65)113-47-59(15)107-31-25-53(5)6/h35-44,51-62H,23-34,45-50H2,1-22H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)(H,97,98)(H,99,100)
InChIKeyCXYIDQNCZFLABS-UHFFFAOYSA-N
XLogP17.11
TPSA338.68 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds56
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001628.01
LogP ≤ 517.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

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
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-N-[4-(3-methylbutoxy)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050851
2-[(2-methoxy-4,5-dimethylphenyl)carbamoyl]-5-(methylcarbamoyl)terephthalic acid
CID 159071546
4-acetamido-5-(diaminomethylideneamino)-2-(3-methylbutoxy)benzoic acid
CID 44576317
3-chloro-5-methoxy-N-(2-methoxy-5-methylphenyl)-4-(3-methylbutoxy)benzamide
CID 26414165
2-bromo-5-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]benzoic acid
CID 106990875
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
2-(carbamoylamino)-5-methoxy-4-(4-methylpentoxy)benzoic acid
CID 167221886
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
2,5-bis(2-methoxypropoxy)benzene-1,4-dicarbohydrazide
CID 176549581
N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide
CID 82156253

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(NC(=O)c4cc(C(=O)O)c(OCC(C)OCCC(C)C)cc4OCC(C)OCCC(C)C)c(OC)cc3OC)c(OCC(C)OCCC(C)C)cc2OCC(C)OCCC(C)C)cc1NC(=O)c1cc(C(=O)O)c(OCC(C)OCCC(C)C)cc1OCC(C)OCCC(C)C.
What is the InChIKey of 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?
The InChIKey is CXYIDQNCZFLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H130N4O24/c1-51(2)23-29-105-57(13)45-111-73-40-74(112-46-58(14)106-30-24-52(3)4)64(84(94)90-70-39-72(82(104-22)44-80(70)102-20)92-86(96)66-37-68(88(99)100)78(116-50-62(18)110-34-28-56(11)12)42-76(66)114-48-60(16)108-32-26-54(7)8)35-63(73)83(93)89-69-38-71(81(103-21)43-79(69)101-19)91-85(95)65-36-67(87(97)98)77(115-49-61(17)109-33-27-55(9)10)41-75(65)113-47-59(15)107-31-25-53(5)6/h35-44,51-62H,23-34,45-50H2,1-22H3,(H,89,93)(H,90,94)(H,91,95)(H,92,96)(H,97,98)(H,99,100).
What are the key properties of 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?
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 has a molecular weight of 1628.01 g/mol, XLogP of 17.11, 56 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11636773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).