propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate

C20H19N3O5 — CID 4927327

IUPACpropyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H19N3O5/c1-2-11-27-20(26)13-7-9-14(10-8-13)28-12-17(24)22-23-18-15-5-3-4-6-16(15)21-19(18)25/h3-10,21,25H,2,11-12H2,1H3/b23-22+
InChIKeyLUMHCIUKWNIZNR-GHVJWSGMSA-N
MW381.39 g/mol
LogP4.13
Rot. Bonds7

About propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate

propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate (PubChem CID 4927327) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
PubChem CID4927327
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namepropyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C20H19N3O5/c1-2-11-27-20(26)13-7-9-14(10-8-13)28-12-17(24)22-23-18-15-5-3-4-6-16(15)21-19(18)25/h3-10,21,25H,2,11-12H2,1H3/b23-22+
InChIKeyLUMHCIUKWNIZNR-GHVJWSGMSA-N
XLogP4.13
TPSA113.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
CID 135576558
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
4-[2-[(2-hydroxy-5-iodo-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoic acid
CID 135530541
2-hexoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 578620
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 766456
2-(4-chlorophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]propanamide
CID 4634014
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969
propyl 4-butoxybenzoate
CID 43389566

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate (CID 4927327) is propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate?
The InChIKey is LUMHCIUKWNIZNR-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-2-11-27-20(26)13-7-9-14(10-8-13)28-12-17(24)22-23-18-15-5-3-4-6-16(15)21-19(18)25/h3-10,21,25H,2,11-12H2,1H3/b23-22+.
What are the key properties of propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate has a molecular weight of 381.39 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4927327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).