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

C22H24N4O3 — CID 4502119

IUPACN-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCCCCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C22H24N4O3/c1-3-4-12-26-18-11-10-15(2)13-17(18)20(22(26)29)25-24-19(27)14-23-21(28)16-8-6-5-7-9-16/h5-11,13,29H,3-4,12,14H2,1-2H3,(H,23,28)/b25-24+
InChIKeyPLBRWQSAVQNKAD-OCOZRVBESA-N
MW392.46 g/mol
LogP4.50
Rot. Bonds7

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

N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (PubChem CID 4502119) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
PubChem CID4502119
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
SMILESCCCCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C22H24N4O3/c1-3-4-12-26-18-11-10-15(2)13-17(18)20(22(26)29)25-24-19(27)14-23-21(28)16-8-6-5-7-9-16/h5-11,13,29H,3-4,12,14H2,1-2H3,(H,23,28)/b25-24+
InChIKeyPLBRWQSAVQNKAD-OCOZRVBESA-N
XLogP4.50
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
2-bromo-N-[3-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-3-oxopropyl]benzamide
CID 4502816
2-chloro-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502814
2-bromo-N-[6-[(2-hydroxy-5-methyl-1-pentylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4502815
2-chloro-N-[2-[(2-hydroxy-1,5-dimethylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4500384
N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4504322
N-(1-butyl-2-hydroxy-5-methylindol-3-yl)iminocyclohexanecarboxamide
CID 4501941
N-[2-[(2-hydroxy-1-propylindol-3-yl)diazenyl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 1390932
N-[6-[(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4501227
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide (CID 4502119) is N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is CCCCn1c(O)c(/N=N/C(=O)CNC(=O)c2ccccc2)c2cc(C)ccc21.
What is the InChIKey of N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
The InChIKey is PLBRWQSAVQNKAD-OCOZRVBESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-4-12-26-18-11-10-15(2)13-17(18)20(22(26)29)25-24-19(27)14-23-21(28)16-8-6-5-7-9-16/h5-11,13,29H,3-4,12,14H2,1-2H3,(H,23,28)/b25-24+.
What are the key properties of N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide?
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 4502119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).