ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate

C26H28N2O5 — CID 666524

IUPACethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(ccc(C)c32)C(C)=CC1(C)C
InChIInChI=1S/C26H28N2O5/c1-6-32-23(30)20-22(27)33-17-9-7-8-16(29)19(17)26(20)18-13(2)10-11-15-14(3)12-25(4,5)28(21(15)18)24(26)31/h10-12H,6-9,27H2,1-5H3
InChIKeyQQXKAAISZOUIHS-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.55
Rot. Bonds2

About ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate

ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate (PubChem CID 666524) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
PubChem CID666524
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Nameethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(ccc(C)c32)C(C)=CC1(C)C
InChIInChI=1S/C26H28N2O5/c1-6-32-23(30)20-22(27)33-17-9-7-8-16(29)19(17)26(20)18-13(2)10-11-15-14(3)12-25(4,5)28(21(15)18)24(26)31/h10-12H,6-9,27H2,1-5H3
InChIKeyQQXKAAISZOUIHS-UHFFFAOYSA-N
XLogP3.55
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate (CID 666524) is ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(ccc(C)c32)C(C)=CC1(C)C.
What is the InChIKey of ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
The InChIKey is QQXKAAISZOUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-6-32-23(30)20-22(27)33-17-9-7-8-16(29)19(17)26(20)18-13(2)10-11-15-14(3)12-25(4,5)28(21(15)18)24(26)31/h10-12H,6-9,27H2,1-5H3.
What are the key properties of ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate?
ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate has a molecular weight of 448.52 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-5,9,11,11-tetramethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate is sourced from PubChem (CID 666524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).