(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one

C25H28N2O5 — CID 127048949

IUPAC(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C25H28N2O5/c1-15-5-7-21-19(9-15)20(25(29)26-21)10-18-6-8-22(23(11-18)30-4)31-14-24(28)27-12-16(2)32-17(3)13-27/h5-11,16-17H,12-14H2,1-4H3,(H,26,29)/b20-10-
InChIKeyNDLBILXJNDHNPM-JMIUGGIZSA-N
MW436.51 g/mol
LogP3.51
Rot. Bonds5

About (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one

(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one (PubChem CID 127048949) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one
PubChem CID127048949
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C25H28N2O5/c1-15-5-7-21-19(9-15)20(25(29)26-21)10-18-6-8-22(23(11-18)30-4)31-14-24(28)27-12-16(2)32-17(3)13-27/h5-11,16-17H,12-14H2,1-4H3,(H,26,29)/b20-10-
InChIKeyNDLBILXJNDHNPM-JMIUGGIZSA-N
XLogP3.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
1-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-5-methyl-1H-indole-2,3-dione
CID 17582328
1-(3-Hydroxypropyl)-5-[2-[2-(2-methoxy-4-methylphenoxy)ethylamino]propyl]-2,3-dihydroindole-7-carboxamide
CID 123183788
5-[2-[2-(4-Ethyl-2-methoxyphenoxy)ethylamino]propyl]-1-(3-hydroxypropyl)-2,3-dihydroindole-7-carboxamide
CID 123576734
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2558401
2-(2-methoxyphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076437
1-(4-butoxy-3-methoxybenzyl)-5-methyl-1H-indole-2,3-dione
CID 3541833
N-(3-acetylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 4884523
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 6619429
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 7446646
2-(2,3-Diethoxyphenyl)-N-{[1-(3-methylbenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}acetamide
CID 16010016
N-{[1-(4-Fluorobenzoyl)-2,3-dihydro-1H-indol-5-YL]methyl}-2-phenoxyacetamide
CID 16033233

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one (CID 127048949) is (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccc(C)cc32)ccc1OCC(=O)N1CC(C)OC(C)C1.
What is the InChIKey of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one?
The InChIKey is NDLBILXJNDHNPM-JMIUGGIZSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-15-5-7-21-19(9-15)20(25(29)26-21)10-18-6-8-22(23(11-18)30-4)31-14-24(28)27-12-16(2)32-17(3)13-27/h5-11,16-17H,12-14H2,1-4H3,(H,26,29)/b20-10-.
What are the key properties of (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one?
(3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one has a molecular weight of 436.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-5-methyl-1H-indol-2-one is sourced from PubChem (CID 127048949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).