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'}

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Related Compounds

3-ethyl-1,3-dimethylindol-2-one
CID 14449303
N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
CID 171636455
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102422036
N-[[(3R)-1,3-dimethyl-2-oxoindol-3-yl]methyl]-4-methoxybenzamide
CID 139187913
3-acetyl-1,3-dimethylindol-2-one
CID 71513470
(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
CID 12030607
2-(3-benzyl-1-methyl-2-oxoindol-3-yl)-N-phenylacetamide
CID 56873238

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).