12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione

C23H30N2O5 — CID 174262169

IUPAC12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
SMILESCC1CC2(COCC(=O)N2)C2COC3CCC(CC3)c3ccccc3OCC(=O)N12
InChIInChI=1S/C23H30N2O5/c1-15-10-23(14-28-12-21(26)24-23)20-11-29-17-8-6-16(7-9-17)18-4-2-3-5-19(18)30-13-22(27)25(15)20/h2-5,15-17,20H,6-14H2,1H3,(H,24,26)
InChIKeyMEURNIRVIWILBO-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.00
Rot. Bonds

About 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione

12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione (PubChem CID 174262169) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione.

Molecular Properties

Compound Name12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
PubChem CID174262169
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
SMILESCC1CC2(COCC(=O)N2)C2COC3CCC(CC3)c3ccccc3OCC(=O)N12
InChIInChI=1S/C23H30N2O5/c1-15-10-23(14-28-12-21(26)24-23)20-11-29-17-8-6-16(7-9-17)18-4-2-3-5-19(18)30-13-22(27)25(15)20/h2-5,15-17,20H,6-14H2,1H3,(H,24,26)
InChIKeyMEURNIRVIWILBO-UHFFFAOYSA-N
XLogP2.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione?
The IUPAC name of 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione (CID 174262169) is 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione.
What is the SMILES notation for 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione?
The canonical SMILES for 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione is CC1CC2(COCC(=O)N2)C2COC3CCC(CC3)c3ccccc3OCC(=O)N12.
What is the InChIKey of 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione?
The InChIKey is MEURNIRVIWILBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-15-10-23(14-28-12-21(26)24-23)20-11-29-17-8-6-16(7-9-17)18-4-2-3-5-19(18)30-13-22(27)25(15)20/h2-5,15-17,20H,6-14H2,1H3,(H,24,26).
What are the key properties of 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione?
12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione has a molecular weight of 414.50 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione is sourced from PubChem (CID 174262169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).