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

C27H25N3O2 — CID 25010703

IUPAC4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CCC1(CCc2ccccc21)O3
InChIInChI=1S/C27H25N3O2/c1-17-18(2)30-16-22(26(31)29-20-9-4-3-5-10-20)21-13-15-27(32-24(21)25(30)28-17)14-12-19-8-6-7-11-23(19)27/h3-11,16H,12-15H2,1-2H3,(H,29,31)
InChIKeyLVJLGZMZGUAMKX-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.37
Rot. Bonds2

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

4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (PubChem CID 25010703) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide.

Molecular Properties

Compound Name4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
PubChem CID25010703
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide
SMILESCc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CCC1(CCc2ccccc21)O3
InChIInChI=1S/C27H25N3O2/c1-17-18(2)30-16-22(26(31)29-20-9-4-3-5-10-20)21-13-15-27(32-24(21)25(30)28-17)14-12-19-8-6-7-11-23(19)27/h3-11,16H,12-15H2,1-2H3,(H,29,31)
InChIKeyLVJLGZMZGUAMKX-UHFFFAOYSA-N
XLogP5.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-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 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The IUPAC name of 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide (CID 25010703) is 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-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 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The canonical SMILES for 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is Cc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CCC1(CCc2ccccc21)O3.
What is the InChIKey of 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
The InChIKey is LVJLGZMZGUAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-17-18(2)30-16-22(26(31)29-20-9-4-3-5-10-20)21-13-15-27(32-24(21)25(30)28-17)14-12-19-8-6-7-11-23(19)27/h3-11,16H,12-15H2,1-2H3,(H,29,31).
What are the key properties of 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide?
4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4',5'-dimethyl-N-phenylspiro[1,2-dihydroindene-3,12'-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene]-8'-carboxamide is sourced from PubChem (CID 25010703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).