ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate

C24H26N4O8 — CID 3661340

IUPACethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C24H26N4O8/c1-5-36-20(30)13-28-16-9-7-6-8-15(16)21(24(28)32)27-26-19(29)12-25-23(31)14-10-17(33-2)22(35-4)18(11-14)34-3/h6-11,32H,5,12-13H2,1-4H3,(H,25,31)/b27-26+
InChIKeyMXCSROXNVCAVKF-CYYJNZCTSA-N
MW498.49 g/mol
LogP2.98
Rot. Bonds10

About ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate

ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate (PubChem CID 3661340) has the molecular formula C24H26N4O8 and a molecular weight of 498.49 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
PubChem CID3661340
Molecular FormulaC24H26N4O8
Molecular Weight498.49 g/mol
Exact Mass498.18
IUPAC Nameethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C24H26N4O8/c1-5-36-20(30)13-28-16-9-7-6-8-15(16)21(24(28)32)27-26-19(29)12-25-23(31)14-10-17(33-2)22(35-4)18(11-14)34-3/h6-11,32H,5,12-13H2,1-4H3,(H,25,31)/b27-26+
InChIKeyMXCSROXNVCAVKF-CYYJNZCTSA-N
XLogP2.98
TPSA150.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate (CID 3661340) is ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate is CCOC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate?
The InChIKey is MXCSROXNVCAVKF-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H26N4O8/c1-5-36-20(30)13-28-16-9-7-6-8-15(16)21(24(28)32)27-26-19(29)12-25-23(31)14-10-17(33-2)22(35-4)18(11-14)34-3/h6-11,32H,5,12-13H2,1-4H3,(H,25,31)/b27-26+.
What are the key properties of ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate?
ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate has a molecular weight of 498.49 g/mol, XLogP of 2.98, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 3661340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).