(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione

C24H32N2O5 — CID 170605560

IUPAC(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
SMILESC[C@@H]1CC(=O)N2CC[C@]3(COCC(=O)N3)[C@H]2COC2CCC(CC2)c2ccccc2O1
InChIInChI=1S/C24H32N2O5/c1-16-12-23(28)26-11-10-24(15-29-14-22(27)25-24)21(26)13-30-18-8-6-17(7-9-18)19-4-2-3-5-20(19)31-16/h2-5,16-18,21H,6-15H2,1H3,(H,25,27)/t16-,17?,18?,21-,24+/m1/s1
InChIKeyCFDLZYNZTGALQE-XYFACIIYSA-N
MW428.53 g/mol
LogP2.39
Rot. Bonds

About (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione

(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione (PubChem CID 170605560) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione.

Molecular Properties

Compound Name(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
PubChem CID170605560
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
SMILESC[C@@H]1CC(=O)N2CC[C@]3(COCC(=O)N3)[C@H]2COC2CCC(CC2)c2ccccc2O1
InChIInChI=1S/C24H32N2O5/c1-16-12-23(28)26-11-10-24(15-29-14-22(27)25-24)21(26)13-30-18-8-6-17(7-9-18)19-4-2-3-5-20(19)31-16/h2-5,16-18,21H,6-15H2,1H3,(H,25,27)/t16-,17?,18?,21-,24+/m1/s1
InChIKeyCFDLZYNZTGALQE-XYFACIIYSA-N
XLogP2.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione?
The IUPAC name of (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione (CID 170605560) is (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione.
What is the SMILES notation for (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione?
The canonical SMILES for (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione is C[C@@H]1CC(=O)N2CC[C@]3(COCC(=O)N3)[C@H]2COC2CCC(CC2)c2ccccc2O1.
What is the InChIKey of (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione?
The InChIKey is CFDLZYNZTGALQE-XYFACIIYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-16-12-23(28)26-11-10-24(15-29-14-22(27)25-24)21(26)13-30-18-8-6-17(7-9-18)19-4-2-3-5-20(19)31-16/h2-5,16-18,21H,6-15H2,1H3,(H,25,27)/t16-,17?,18?,21-,24+/m1/s1.
What are the key properties of (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione?
(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione has a molecular weight of 428.53 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione is sourced from PubChem (CID 170605560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).