2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide

C26H23N3O4 — CID 2716307

IUPAC2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
SMILESCc1cccc(C(O)(C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1
InChIInChI=1S/C26H23N3O4/c1-16-7-5-9-18(13-16)26(33,19-10-6-8-17(2)14-19)25(32)29-28-24(31)23(30)21-15-27-22-12-4-3-11-20(21)22/h3-15,27,33H,1-2H3,(H,28,31)(H,29,32)
InChIKeyZKBHXCXJSZKKLE-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.05
Rot. Bonds5

About 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide

2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide (PubChem CID 2716307) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
PubChem CID2716307
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide
SMILESCc1cccc(C(O)(C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1
InChIInChI=1S/C26H23N3O4/c1-16-7-5-9-18(13-16)26(33,19-10-6-8-17(2)14-19)25(32)29-28-24(31)23(30)21-15-27-22-12-4-3-11-20(21)22/h3-15,27,33H,1-2H3,(H,28,31)(H,29,32)
InChIKeyZKBHXCXJSZKKLE-UHFFFAOYSA-N
XLogP3.05
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoacetamide
CID 22515426
N-(2-cyanopropan-2-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 4618284
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
tert-butyl 2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 10040581
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N'-(4-bromophenyl)-2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-diphenylacetohydrazide
CID 2302680
2-hydroxy-2,2-bis(3-methylphenyl)-N'-[(1R)-1-(3-methylphenyl)ethyl]acetohydrazide
CID 1009881
N-[(2R)-butan-2-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117283
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
ethane;methyl 1H-indole-3-carboxylate
CID 143850313

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide?
The IUPAC name of 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide (CID 2716307) is 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide.
What is the SMILES notation for 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide?
The canonical SMILES for 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide is Cc1cccc(C(O)(C(=O)NNC(=O)C(=O)c2c[nH]c3ccccc23)c2cccc(C)c2)c1.
What is the InChIKey of 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide?
The InChIKey is ZKBHXCXJSZKKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-16-7-5-9-18(13-16)26(33,19-10-6-8-17(2)14-19)25(32)29-28-24(31)23(30)21-15-27-22-12-4-3-11-20(21)22/h3-15,27,33H,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide?
2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide has a molecular weight of 441.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-2,2-bis(3-methylphenyl)acetohydrazide is sourced from PubChem (CID 2716307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).