N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide

C22H22N4O2 — CID 31905462

IUPACN'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C22H22N4O2/c1-13-7-8-20-18(9-13)17(14(2)24-20)11-22(28)26-25-21(27)10-15-12-23-19-6-4-3-5-16(15)19/h3-9,12,23-24H,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZPJRWYPQVGCTKI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.20
Rot. Bonds4

About N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide

N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide (PubChem CID 31905462) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
PubChem CID31905462
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
SMILESCc1ccc2[nH]c(C)c(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C22H22N4O2/c1-13-7-8-20-18(9-13)17(14(2)24-20)11-22(28)26-25-21(27)10-15-12-23-19-6-4-3-5-16(15)19/h3-9,12,23-24H,10-11H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyZPJRWYPQVGCTKI-UHFFFAOYSA-N
XLogP3.20
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethyl-1H-indol-3-yl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464817
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-4-oxo-4-pyrrolidin-1-ylbutanehydrazide
CID 3887038
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N-(2,3-dichlorophenyl)-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 113212316
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46591179
2-methyl-N'-[2-(2-methyl-1H-indol-3-yl)acetyl]benzohydrazide
CID 46596321
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N'-[2-(1H-indol-3-yl)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
CID 17484675
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5411943
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide (CID 31905462) is N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide is Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)Cc3c[nH]c4ccccc34)c2c1.
What is the InChIKey of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
The InChIKey is ZPJRWYPQVGCTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-7-8-20-18(9-13)17(14(2)24-20)11-22(28)26-25-21(27)10-15-12-23-19-6-4-3-5-16(15)19/h3-9,12,23-24H,10-11H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide?
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide has a molecular weight of 374.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 31905462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).