2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C20H22N2O4 — CID 7703815

IUPAC2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cccc(/C=N\OCC(=O)N2c3ccccc3C[C@@H]2C)c1OC
InChIInChI=1S/C20H22N2O4/c1-14-11-15-7-4-5-9-17(15)22(14)19(23)13-26-21-12-16-8-6-10-18(24-2)20(16)25-3/h4-10,12,14H,11,13H2,1-3H3/b21-12-/t14-/m0/s1
InChIKeyPNBGBOATWZAVJE-HKMXWPIPSA-N
MW354.41 g/mol
LogP3.03
Rot. Bonds6

About 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7703815) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7703815
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCOc1cccc(/C=N\OCC(=O)N2c3ccccc3C[C@@H]2C)c1OC
InChIInChI=1S/C20H22N2O4/c1-14-11-15-7-4-5-9-17(15)22(14)19(23)13-26-21-12-16-8-6-10-18(24-2)20(16)25-3/h4-10,12,14H,11,13H2,1-3H3/b21-12-/t14-/m0/s1
InChIKeyPNBGBOATWZAVJE-HKMXWPIPSA-N
XLogP3.03
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.03
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'}

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[(Z)-(2-methylphenyl)methylideneamino]oxyethanone
CID 7670135
2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7703224
2-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxy-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 42967686
methyl 4-[(E)-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]iminomethyl]benzoate
CID 42967704
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 7703931
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075553
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 6213371

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 7703815) is 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is COc1cccc(/C=N\OCC(=O)N2c3ccccc3C[C@@H]2C)c1OC.
What is the InChIKey of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PNBGBOATWZAVJE-HKMXWPIPSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-11-15-7-4-5-9-17(15)22(14)19(23)13-26-21-12-16-8-6-10-18(24-2)20(16)25-3/h4-10,12,14H,11,13H2,1-3H3/b21-12-/t14-/m0/s1.
What are the key properties of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7703815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).