2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide

C19H20N4O3 — CID 2333388

IUPAC2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(O)c(/N=N/CCO)c3ccccc32)c1
InChIInChI=1S/C19H20N4O3/c1-13-5-4-6-14(11-13)21-17(25)12-23-16-8-3-2-7-15(16)18(19(23)26)22-20-9-10-24/h2-8,11,24,26H,9-10,12H2,1H3,(H,21,25)/b22-20+
InChIKeyKCKQUEUSYWVPMF-LSDHQDQOSA-N
MW352.39 g/mol
LogP3.37
Rot. Bonds6

About 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide

2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 2333388) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID2333388
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2c(O)c(/N=N/CCO)c3ccccc32)c1
InChIInChI=1S/C19H20N4O3/c1-13-5-4-6-14(11-13)21-17(25)12-23-16-8-3-2-7-15(16)18(19(23)26)22-20-9-10-24/h2-8,11,24,26H,9-10,12H2,1H3,(H,21,25)/b22-20+
InChIKeyKCKQUEUSYWVPMF-LSDHQDQOSA-N
XLogP3.37
TPSA99.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.37
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

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
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
2-[3-(carbamimidoyldiazenyl)-2-hydroxyindol-1-yl]-N-phenylacetamide
CID 2304852
N-(3-methylphenyl)-2-(2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-6-yl)acetamide
CID 21129490
N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
CID 4264369
N'-[1-(2-anilino-2-oxoethyl)-5-bromo-2-hydroxyindol-3-yl]imino-N-(4-methylphenyl)oxamide
CID 4652493
N-[2-hydroxy-1-[2-(4-methylanilino)-2-oxoethyl]indol-3-yl]imino-4-nitrobenzamide
CID 1048808
N,N-diethyl-1-[2-(3-methylanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 17251057
N-(3-fluorophenyl)-2-(2-methyl-9-oxoacridin-10-yl)acetamide
CID 15993730
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
CID 1255359
2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762674

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide (CID 2333388) is 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2c(O)c(/N=N/CCO)c3ccccc32)c1.
What is the InChIKey of 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is KCKQUEUSYWVPMF-LSDHQDQOSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-5-4-6-14(11-13)21-17(25)12-23-16-8-3-2-7-15(16)18(19(23)26)22-20-9-10-24/h2-8,11,24,26H,9-10,12H2,1H3,(H,21,25)/b22-20+.
What are the key properties of 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide?
2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-hydroxyethyldiazenyl)indol-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2333388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).