N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide

C22H24N4O3 — CID 135574739

IUPACN'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C22H24N4O3/c1-3-4-7-14-26-18-9-6-5-8-17(18)19(22(26)29)24-25-21(28)20(27)23-16-12-10-15(2)11-13-16/h5-6,8-13,29H,3-4,7,14H2,1-2H3,(H,23,27)/b25-24+
InChIKeyHFNYZMYFEQRFGL-OCOZRVBESA-N
MW392.46 g/mol
LogP5.09
Rot. Bonds6

About N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide

N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide (PubChem CID 135574739) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
PubChem CID135574739
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide
SMILESCCCCCn1c(O)c(/N=N/C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C22H24N4O3/c1-3-4-7-14-26-18-9-6-5-8-17(18)19(22(26)29)24-25-21(28)20(27)23-16-12-10-15(2)11-13-16/h5-6,8-13,29H,3-4,7,14H2,1-2H3,(H,23,27)/b25-24+
InChIKeyHFNYZMYFEQRFGL-OCOZRVBESA-N
XLogP5.09
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
N'-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-N-phenyloxamide
CID 3375454
N'-(2-hydroxy-1-propylindol-3-yl)imino-N-(3-nitrophenyl)oxamide
CID 4573569
N'-[1-(2-anilino-2-oxoethyl)-5-bromo-2-hydroxyindol-3-yl]imino-N-(4-methylphenyl)oxamide
CID 4652493
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-1-pentylindol-3-yl)iminoacetamide
CID 135726406
N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
CID 3838815
N'-(2-hydroxy-1-prop-2-enylindol-3-yl)imino-N-(4-nitrophenyl)oxamide
CID 3101776
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide (CID 135574739) is N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide is CCCCCn1c(O)c(/N=N/C(=O)C(=O)Nc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide?
The InChIKey is HFNYZMYFEQRFGL-OCOZRVBESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-4-7-14-26-18-9-6-5-8-17(18)19(22(26)29)24-25-21(28)20(27)23-16-12-10-15(2)11-13-16/h5-6,8-13,29H,3-4,7,14H2,1-2H3,(H,23,27)/b25-24+.
What are the key properties of N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide?
N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide has a molecular weight of 392.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-1-pentylindol-3-yl)imino-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135574739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).