N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide

C23H26N4O6 — CID 1390932

IUPACN-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C23H26N4O6/c1-5-10-27-16-9-7-6-8-15(16)20(23(27)30)26-25-19(28)13-24-22(29)14-11-17(31-2)21(33-4)18(12-14)32-3/h6-9,11-12,30H,5,10,13H2,1-4H3,(H,24,29)/b26-25+
InChIKeyNFKWUTQWPWWRHR-OCEACIFDSA-N
MW454.48 g/mol
LogP3.82
Rot. Bonds9

About N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 1390932) has the molecular formula C23H26N4O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID1390932
Molecular FormulaC23H26N4O6
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC NameN-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21
InChIInChI=1S/C23H26N4O6/c1-5-10-27-16-9-7-6-8-15(16)20(23(27)30)26-25-19(28)13-24-22(29)14-11-17(31-2)21(33-4)18(12-14)32-3/h6-9,11-12,30H,5,10,13H2,1-4H3,(H,24,29)/b26-25+
InChIKeyNFKWUTQWPWWRHR-OCEACIFDSA-N
XLogP3.82
TPSA123.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-hydroxy-3-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]diazenyl]indol-1-yl]acetate
CID 3661340
N-[2-[(2-hydroxy-1-prop-2-enylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1393033
methyl 2-[3-[[2-[(4-ethoxybenzoyl)amino]acetyl]diazenyl]-2-hydroxyindol-1-yl]acetate
CID 1417278
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-(2-methoxyanilino)acetamide
CID 3605087
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-3,4-dimethoxybenzamide
CID 135710555
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4502119
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N,N'-bis[(2-hydroxy-1-propylindol-3-yl)imino]propanediamide;propanedihydrazide
CID 135810850
methyl 2-[2-hydroxy-3-[[2-(pyridine-3-carbonylamino)acetyl]diazenyl]indol-1-yl]acetate
CID 4203470
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
4-chloro-N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]benzamide
CID 2011516
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 1153980

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 1390932) is N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide is CCCn1c(O)c(/N=N/C(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc21.
What is the InChIKey of N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NFKWUTQWPWWRHR-OCEACIFDSA-N. The full InChI is InChI=1S/C23H26N4O6/c1-5-10-27-16-9-7-6-8-15(16)20(23(27)30)26-25-19(28)13-24-22(29)14-11-17(31-2)21(33-4)18(12-14)32-3/h6-9,11-12,30H,5,10,13H2,1-4H3,(H,24,29)/b26-25+.
What are the key properties of N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 454.48 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1390932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).