N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide

C23H22N4O4 — CID 32795936

IUPACN'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)Cc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C23H22N4O4/c1-14-8-9-17-18(11-14)23(31)27(22(17)30)10-4-7-20(28)25-26-21(29)12-15-13-24-19-6-3-2-5-16(15)19/h2-3,5-6,8-9,11,13,24H,4,7,10,12H2,1H3,(H,25,28)(H,26,29)
InChIKeyDVHWLRHWRVQTFB-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.24
Rot. Bonds6

About N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide

N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide (PubChem CID 32795936) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
PubChem CID32795936
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)Cc1c[nH]c3ccccc13)C2=O
InChIInChI=1S/C23H22N4O4/c1-14-8-9-17-18(11-14)23(31)27(22(17)30)10-4-7-20(28)25-26-21(29)12-15-13-24-19-6-3-2-5-16(15)19/h2-3,5-6,8-9,11,13,24H,4,7,10,12H2,1H3,(H,25,28)(H,26,29)
InChIKeyDVHWLRHWRVQTFB-UHFFFAOYSA-N
XLogP2.24
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide 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

2-[2-(1H-indol-3-yl)ethyl]-5-methylisoindole-1,3-dione
CID 1204633
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-(1H-indol-3-yl)-N'-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]acetohydrazide
CID 46656981
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylbutanamide
CID 51266037
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
2,5-dimethyl-N'-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]furan-3-carbohydrazide
CID 55375532
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide
CID 29220127
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N-[(3,4-dimethoxyphenyl)methyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 51192224
2-[2-(1H-indol-3-yl)ethyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 906603

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide (CID 32795936) is N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)NNC(=O)Cc1c[nH]c3ccccc13)C2=O.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide?
The InChIKey is DVHWLRHWRVQTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-8-9-17-18(11-14)23(31)27(22(17)30)10-4-7-20(28)25-26-21(29)12-15-13-24-19-6-3-2-5-16(15)19/h2-3,5-6,8-9,11,13,24H,4,7,10,12H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide has a molecular weight of 418.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide is sourced from PubChem (CID 32795936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).