N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide

C18H19N3O2 — CID 11197628

IUPACN'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
SMILESCCC1(NNC(=O)c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H19N3O2/c1-3-18(20-19-16(22)13-9-5-4-6-10-13)14-11-7-8-12-15(14)21(2)17(18)23/h4-12,20H,3H2,1-2H3,(H,19,22)
InChIKeyLOVQRYUTRVAVIP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.20
Rot. Bonds4

About N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide

N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide (PubChem CID 11197628) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
PubChem CID11197628
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide
SMILESCCC1(NNC(=O)c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H19N3O2/c1-3-18(20-19-16(22)13-9-5-4-6-10-13)14-11-7-8-12-15(14)21(2)17(18)23/h4-12,20H,3H2,1-2H3,(H,19,22)
InChIKeyLOVQRYUTRVAVIP-UHFFFAOYSA-N
XLogP2.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide?
The IUPAC name of N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide (CID 11197628) is N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide.
What is the SMILES notation for N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide?
The canonical SMILES for N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide is CCC1(NNC(=O)c2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide?
The InChIKey is LOVQRYUTRVAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-18(20-19-16(22)13-9-5-4-6-10-13)14-11-7-8-12-15(14)21(2)17(18)23/h4-12,20H,3H2,1-2H3,(H,19,22).
What are the key properties of N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide?
N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide has a molecular weight of 309.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1-methyl-2-oxoindol-3-yl)benzohydrazide is sourced from PubChem (CID 11197628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).