2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C21H24N2O4 — CID 42967686

IUPAC2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCCOc1ccc(/C=N/OCC(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-4-26-19-10-9-16(12-20(19)25-3)13-22-27-14-21(24)23-15(2)11-17-7-5-6-8-18(17)23/h5-10,12-13,15H,4,11,14H2,1-3H3/b22-13+
InChIKeyFEJODHSFIUQFFA-LPYMAVHISA-N
MW368.43 g/mol
LogP3.42
Rot. Bonds7

About 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 42967686) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID42967686
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCCOc1ccc(/C=N/OCC(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C21H24N2O4/c1-4-26-19-10-9-16(12-20(19)25-3)13-22-27-14-21(24)23-15(2)11-17-7-5-6-8-18(17)23/h5-10,12-13,15H,4,11,14H2,1-3H3/b22-13+
InChIKeyFEJODHSFIUQFFA-LPYMAVHISA-N
XLogP3.42
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
methyl 4-[(E)-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]iminomethyl]benzoate
CID 42967704
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6213371
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381920
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyethanone
CID 7670135
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7703224
2-[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 4682317
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 2417277
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7291483
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907822
1-(2,3-dihydroindol-1-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 85460293

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 42967686) is 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CCOc1ccc(/C=N/OCC(=O)N2c3ccccc3CC2C)cc1OC.
What is the InChIKey of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is FEJODHSFIUQFFA-LPYMAVHISA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-26-19-10-9-16(12-20(19)25-3)13-22-27-14-21(24)23-15(2)11-17-7-5-6-8-18(17)23/h5-10,12-13,15H,4,11,14H2,1-3H3/b22-13+.
What are the key properties of 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 368.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 42967686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).