N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide

C25H22N4O4 — CID 4264369

IUPACN-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccccc3O)c3ccccc32)c(C)c1
InChIInChI=1S/C25H22N4O4/c1-15-11-12-19(16(2)13-15)26-22(31)14-29-20-9-5-3-7-17(20)23(25(29)33)27-28-24(32)18-8-4-6-10-21(18)30/h3-13,30,33H,14H2,1-2H3,(H,26,31)/b28-27+
InChIKeySBYQFRCTUBJNKT-BYYHNAKLSA-N
MW442.48 g/mol
LogP5.23
Rot. Bonds5

About N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide

N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide (PubChem CID 4264369) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
PubChem CID4264369
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
SMILESCc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccccc3O)c3ccccc32)c(C)c1
InChIInChI=1S/C25H22N4O4/c1-15-11-12-19(16(2)13-15)26-22(31)14-29-20-9-5-3-7-17(20)23(25(29)33)27-28-24(32)18-8-4-6-10-21(18)30/h3-13,30,33H,14H2,1-2H3,(H,26,31)/b28-27+
InChIKeySBYQFRCTUBJNKT-BYYHNAKLSA-N
XLogP5.23
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.23
H-Bond Donors ≤ 53
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-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 4090975
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
1-(2,4-dimethylphenyl)-3-(2-hydroxy-1-propylindol-3-yl)iminothiourea
CID 4154631
N-(2,4-dimethylphenyl)-2-(3-formyl-2-methylindol-1-yl)acetamide
CID 802610
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
CID 1048808
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide
CID 2333388
N-benzyl-N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]iminooxamide
CID 3570088
N'-[2-hydroxy-1-[2-(3-methylanilino)-2-oxoethyl]indol-3-yl]imino-N-(2-methoxyphenyl)oxamide
CID 2253515
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
2-(3-butyl-2,4-dioxoquinazolin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 45030658
N-(2,4-dimethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1081528

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
The IUPAC name of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide (CID 4264369) is N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide is Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=O)c3ccccc3O)c3ccccc32)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
The InChIKey is SBYQFRCTUBJNKT-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-15-11-12-19(16(2)13-15)26-22(31)14-29-20-9-5-3-7-17(20)23(25(29)33)27-28-24(32)18-8-4-6-10-21(18)30/h3-13,30,33H,14H2,1-2H3,(H,26,31)/b28-27+.
What are the key properties of N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide?
N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide has a molecular weight of 442.48 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide is sourced from PubChem (CID 4264369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).