N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C22H21N3O3 — CID 26873945

IUPACN'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)oc2ccccc12
InChIInChI=1S/C22H21N3O3/c1-14-16-8-3-5-11-19(16)28-21(14)22(27)25-24-20(26)12-6-7-15-13-23-18-10-4-2-9-17(15)18/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyAHXZDBPUYAZPIH-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.01
Rot. Bonds5

About N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 26873945) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID26873945
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)oc2ccccc12
InChIInChI=1S/C22H21N3O3/c1-14-16-8-3-5-11-19(16)28-21(14)22(27)25-24-20(26)12-6-7-15-13-23-18-10-4-2-9-17(15)18/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyAHXZDBPUYAZPIH-UHFFFAOYSA-N
XLogP4.01
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 31829676
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
4-bromo-N'-[4-(1H-indol-3-yl)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27036776
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2580288
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)butanamide
CID 588715
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 26873945) is N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)CCCc2c[nH]c3ccccc23)oc2ccccc12.
What is the InChIKey of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is AHXZDBPUYAZPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-16-8-3-5-11-19(16)28-21(14)22(27)25-24-20(26)12-6-7-15-13-23-18-10-4-2-9-17(15)18/h2-5,8-11,13,23H,6-7,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 375.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 26873945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).