methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate

C22H23N3O5 — CID 135604049

IUPACmethyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
SMILESCCCc1ccc(OCC(=O)/N=N/c2c(O)n(CC(=O)OC)c3ccccc23)cc1
InChIInChI=1S/C22H23N3O5/c1-3-6-15-9-11-16(12-10-15)30-14-19(26)23-24-21-17-7-4-5-8-18(17)25(22(21)28)13-20(27)29-2/h4-5,7-12,28H,3,6,13-14H2,1-2H3/b24-23+
InChIKeyBEXHVSDWJLLUSV-WCWDXBQESA-N
MW409.44 g/mol
LogP4.16
Rot. Bonds8

About methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate

methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate (PubChem CID 135604049) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
PubChem CID135604049
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Namemethyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
SMILESCCCc1ccc(OCC(=O)/N=N/c2c(O)n(CC(=O)OC)c3ccccc23)cc1
InChIInChI=1S/C22H23N3O5/c1-3-6-15-9-11-16(12-10-15)30-14-19(26)23-24-21-17-7-4-5-8-18(17)25(22(21)28)13-20(27)29-2/h4-5,7-12,28H,3,6,13-14H2,1-2H3/b24-23+
InChIKeyBEXHVSDWJLLUSV-WCWDXBQESA-N
XLogP4.16
TPSA102.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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-phenoxyacetamide
CID 963929
methyl 2-[2-hydroxy-3-(methoxycarbonyldiazenyl)indol-1-yl]acetate
CID 932258
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
methyl 2-[2-hydroxy-3-[(4-methoxybenzoyl)diazenyl]indol-1-yl]acetate
CID 1270570
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 3411635
2-(3,4-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726405
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
methyl 2-[2-hydroxy-3-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]acetyl]diazenyl]indol-1-yl]acetate
CID 135648157
methyl 2-[2-hydroxy-3-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]diazenyl]indol-1-yl]acetate
CID 3755170

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate?
The IUPAC name of methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate (CID 135604049) is methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate is CCCc1ccc(OCC(=O)/N=N/c2c(O)n(CC(=O)OC)c3ccccc23)cc1.
What is the InChIKey of methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate?
The InChIKey is BEXHVSDWJLLUSV-WCWDXBQESA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-6-15-9-11-16(12-10-15)30-14-19(26)23-24-21-17-7-4-5-8-18(17)25(22(21)28)13-20(27)29-2/h4-5,7-12,28H,3,6,13-14H2,1-2H3/b24-23+.
What are the key properties of methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate?
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate has a molecular weight of 409.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 135604049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).