dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate

C26H24N2O8 — CID 3818840

IUPACdimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate
SMILESCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12
InChIInChI=1S/C26H24N2O8/c1-15-20(23(30)33-2)26(21(22(27)36-15)24(31)34-3)17-11-7-8-12-18(17)28(25(26)32)13-19(29)35-14-16-9-5-4-6-10-16/h4-12H,13-14,27H2,1-3H3
InChIKeyXDEONPNMJZSZNZ-UHFFFAOYSA-N
MW492.48 g/mol
LogP1.83
Rot. Bonds6

About dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate

dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate (PubChem CID 3818840) has the molecular formula C26H24N2O8 and a molecular weight of 492.48 g/mol. Its IUPAC name is dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate
PubChem CID3818840
Molecular FormulaC26H24N2O8
Molecular Weight492.48 g/mol
Exact Mass492.15
IUPAC Namedimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate
SMILESCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12
InChIInChI=1S/C26H24N2O8/c1-15-20(23(30)33-2)26(21(22(27)36-15)24(31)34-3)17-11-7-8-12-18(17)28(25(26)32)13-19(29)35-14-16-9-5-4-6-10-16/h4-12H,13-14,27H2,1-3H3
InChIKeyXDEONPNMJZSZNZ-UHFFFAOYSA-N
XLogP1.83
TPSA134.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
The IUPAC name of dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate (CID 3818840) is dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate.
What is the SMILES notation for dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
The canonical SMILES for dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate is COC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12.
What is the InChIKey of dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
The InChIKey is XDEONPNMJZSZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O8/c1-15-20(23(30)33-2)26(21(22(27)36-15)24(31)34-3)17-11-7-8-12-18(17)28(25(26)32)13-19(29)35-14-16-9-5-4-6-10-16/h4-12H,13-14,27H2,1-3H3.
What are the key properties of dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate has a molecular weight of 492.48 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate is sourced from PubChem (CID 3818840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).