N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide

C23H25N3O2 — CID 25008245

IUPACN,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(Cc2ccccc2C1)O3
InChIInChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(22(27)25(3)4)18-9-10-23(28-20(18)21(26)24-14)11-16-7-5-6-8-17(16)12-23/h5-8,13H,9-12H2,1-4H3
InChIKeyUWPMKRFLLUSEIF-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.52
Rot. Bonds1

About N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide

N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (PubChem CID 25008245) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.

Molecular Properties

Compound NameN,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
PubChem CID25008245
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(Cc2ccccc2C1)O3
InChIInChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(22(27)25(3)4)18-9-10-23(28-20(18)21(26)24-14)11-16-7-5-6-8-17(16)12-23/h5-8,13H,9-12H2,1-4H3
InChIKeyUWPMKRFLLUSEIF-UHFFFAOYSA-N
XLogP3.52
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The IUPAC name of N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (CID 25008245) is N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.
What is the SMILES notation for N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The canonical SMILES for N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC1(Cc2ccccc2C1)O3.
What is the InChIKey of N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The InChIKey is UWPMKRFLLUSEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(22(27)25(3)4)18-9-10-23(28-20(18)21(26)24-14)11-16-7-5-6-8-17(16)12-23/h5-8,13H,9-12H2,1-4H3.
What are the key properties of N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4',5'-tetramethylspiro[1,3-dihydroindene-2,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is sourced from PubChem (CID 25008245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).