N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

C19H18N4O4 — CID 4504322

IUPACN-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCOc1ccc2c(c1)c(/N=N/C(=O)CNC(=O)c1ccccc1)c(O)n2C
InChIInChI=1S/C19H18N4O4/c1-23-15-9-8-13(27-2)10-14(15)17(19(23)26)22-21-16(24)11-20-18(25)12-6-4-3-5-7-12/h3-10,26H,11H2,1-2H3,(H,20,25)/b22-21+
InChIKeyCSPRZVFXLZCKOR-QURGRASLSA-N
MW366.38 g/mol
LogP2.93
Rot. Bonds5

About N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide

N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (PubChem CID 4504322) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
PubChem CID4504322
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCOc1ccc2c(c1)c(/N=N/C(=O)CNC(=O)c1ccccc1)c(O)n2C
InChIInChI=1S/C19H18N4O4/c1-23-15-9-8-13(27-2)10-14(15)17(19(23)26)22-21-16(24)11-20-18(25)12-6-4-3-5-7-12/h3-10,26H,11H2,1-2H3,(H,20,25)/b22-21+
InChIKeyCSPRZVFXLZCKOR-QURGRASLSA-N
XLogP2.93
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.93
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

N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
CID 4504327
3-chloro-N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 1153980
2-chloro-N-[6-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4504332
N-[2-[[1-(2-cyanoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-4-methoxybenzamide
CID 2018731
2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4500384
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4502119
N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
CID 4507272
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
N-[2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3712818
4-(2,4-dichlorophenoxy)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminobutanamide
CID 4503940
1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine
CID 4113708
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (CID 4504322) is N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is COc1ccc2c(c1)c(/N=N/C(=O)CNC(=O)c1ccccc1)c(O)n2C.
What is the InChIKey of N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The InChIKey is CSPRZVFXLZCKOR-QURGRASLSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-23-15-9-8-13(27-2)10-14(15)17(19(23)26)22-21-16(24)11-20-18(25)12-6-4-3-5-7-12/h3-10,26H,11H2,1-2H3,(H,20,25)/b22-21+.
What are the key properties of N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide has a molecular weight of 366.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4504322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).