(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one

C21H23NO3 — CID 126117097

IUPAC(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
SMILESCCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)c(OCC)c1
InChIInChI=1S/C21H23NO3/c1-4-22-19-10-8-7-9-17(19)18(21(22)23)13-15-11-12-16(24-5-2)14-20(15)25-6-3/h7-14H,4-6H2,1-3H3/b18-13-
InChIKeyGQTAOBVYAZSHEX-AQTBWJFISA-N
MW337.42 g/mol
LogP4.39
Rot. Bonds6

About (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one

(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one (PubChem CID 126117097) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
PubChem CID126117097
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
SMILESCCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)c(OCC)c1
InChIInChI=1S/C21H23NO3/c1-4-22-19-10-8-7-9-17(19)18(21(22)23)13-15-11-12-16(24-5-2)14-20(15)25-6-3/h7-14H,4-6H2,1-3H3/b18-13-
InChIKeyGQTAOBVYAZSHEX-AQTBWJFISA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126202963
(3Z)-3-[(4,5-dimethoxy-2-methylphenyl)methylidene]-1-ethylindol-2-one
CID 126119662
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126204603
1-ethyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylidene]indol-2-one
CID 951638
5-[(2,4-diethoxyphenyl)methylidene]-3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 898699
(3Z)-3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126060
(3Z)-3-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117481
(3Z)-3-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1-ethylindol-2-one
CID 126117656
(3Z)-3-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-1-ethylindol-2-one
CID 126120705

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one (CID 126117097) is (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one is CCOc1ccc(/C=C2\C(=O)N(CC)c3ccccc32)c(OCC)c1.
What is the InChIKey of (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one?
The InChIKey is GQTAOBVYAZSHEX-AQTBWJFISA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-22-19-10-8-7-9-17(19)18(21(22)23)13-15-11-12-16(24-5-2)14-20(15)25-6-3/h7-14H,4-6H2,1-3H3/b18-13-.
What are the key properties of (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one?
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one has a molecular weight of 337.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126117097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).