methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate

C23H24N2O7 — CID 2968928

IUPACmethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate
SMILESCOC(=O)CN1C(=O)C2(C(C(=O)OC)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C23H24N2O7/c1-22(2)9-13-17(14(26)10-22)23(21(29)25(13)11-16(27)30-3)12-7-5-6-8-15(12)32-19(24)18(23)20(28)31-4/h5-8H,9-11,24H2,1-4H3
InChIKeyACBVMHXNVDXYBV-UHFFFAOYSA-N
MW440.45 g/mol
LogP1.32
Rot. Bonds3

About methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate

methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate (PubChem CID 2968928) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate
PubChem CID2968928
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namemethyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate
SMILESCOC(=O)CN1C(=O)C2(C(C(=O)OC)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C23H24N2O7/c1-22(2)9-13-17(14(26)10-22)23(21(29)25(13)11-16(27)30-3)12-7-5-6-8-15(12)32-19(24)18(23)20(28)31-4/h5-8H,9-11,24H2,1-4H3
InChIKeyACBVMHXNVDXYBV-UHFFFAOYSA-N
XLogP1.32
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate (CID 2968928) is methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate is COC(=O)CN1C(=O)C2(C(C(=O)OC)=C(N)Oc3ccccc32)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate?
The InChIKey is ACBVMHXNVDXYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-22(2)9-13-17(14(26)10-22)23(21(29)25(13)11-16(27)30-3)12-7-5-6-8-15(12)32-19(24)18(23)20(28)31-4/h5-8H,9-11,24H2,1-4H3.
What are the key properties of methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate?
methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate has a molecular weight of 440.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-1-(2-methoxy-2-oxoethyl)-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-3'-carboxylate is sourced from PubChem (CID 2968928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).