N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide

C19H17N3O3 — CID 27691367

IUPACN'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
SMILESO=C(CCC(=O)c1ccccc1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-17(13-6-2-1-3-7-13)10-11-18(24)21-22-19(25)15-12-20-16-9-5-4-8-14(15)16/h1-9,12,20H,10-11H2,(H,21,24)(H,22,25)
InChIKeyAMFHPUBXIOQOEO-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.59
Rot. Bonds5

About N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide

N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide (PubChem CID 27691367) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
PubChem CID27691367
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
SMILESO=C(CCC(=O)c1ccccc1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-17(13-6-2-1-3-7-13)10-11-18(24)21-22-19(25)15-12-20-16-9-5-4-8-14(15)16/h1-9,12,20H,10-11H2,(H,21,24)(H,22,25)
InChIKeyAMFHPUBXIOQOEO-UHFFFAOYSA-N
XLogP2.59
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.59
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-oxo-4-phenylbutanoyl)-1H-indole-3-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

N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 27691817
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
N'-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 27691465

Frequently Asked Questions

What is the IUPAC name of N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide (CID 27691367) is N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide is O=C(CCC(=O)c1ccccc1)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide?
The InChIKey is AMFHPUBXIOQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17(13-6-2-1-3-7-13)10-11-18(24)21-22-19(25)15-12-20-16-9-5-4-8-14(15)16/h1-9,12,20H,10-11H2,(H,21,24)(H,22,25).
What are the key properties of N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide?
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide has a molecular weight of 335.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 27691367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).