4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide

C22H22N4O2 — CID 29437828

IUPAC4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
SMILESO=C(CCCc1c[nH]c2ccccc12)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O2/c27-21(11-5-6-15-13-23-19-9-3-1-7-17(15)19)25-26-22(28)12-16-14-24-20-10-4-2-8-18(16)20/h1-4,7-10,13-14,23-24H,5-6,11-12H2,(H,25,27)(H,26,28)
InChIKeyKZGCQDJRBYNVTI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.36
Rot. Bonds6

About 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide

4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide (PubChem CID 29437828) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
PubChem CID29437828
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
SMILESO=C(CCCc1c[nH]c2ccccc12)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O2/c27-21(11-5-6-15-13-23-19-9-3-1-7-17(15)19)25-26-22(28)12-16-14-24-20-10-4-2-8-18(16)20/h1-4,7-10,13-14,23-24H,5-6,11-12H2,(H,25,27)(H,26,28)
InChIKeyKZGCQDJRBYNVTI-UHFFFAOYSA-N
XLogP3.36
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
4-(1H-indol-3-yl)butanamide
CID 588715
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
3-(2,4-dichlorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 35681432
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
N'-[2-(1H-indol-3-yl)acetyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanehydrazide
CID 55822207
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide?
The IUPAC name of 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide (CID 29437828) is 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide?
The canonical SMILES for 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide is O=C(CCCc1c[nH]c2ccccc12)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide?
The InChIKey is KZGCQDJRBYNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(11-5-6-15-13-23-19-9-3-1-7-17(15)19)25-26-22(28)12-16-14-24-20-10-4-2-8-18(16)20/h1-4,7-10,13-14,23-24H,5-6,11-12H2,(H,25,27)(H,26,28).
What are the key properties of 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide?
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide has a molecular weight of 374.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide is sourced from PubChem (CID 29437828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).