(10S,15S,16R)-10-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 170605616

IUPAC(10S,15S,16R)-10-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]1COc2ccccc2C2CCC(CC2)OC[C@@H]2N(CC[C@@]23COCC(=O)N3)C1=O
InChIInChI=1S/C24H32N2O5/c1-16-12-31-20-5-3-2-4-19(20)17-6-8-18(9-7-17)30-13-21-24(10-11-26(21)23(16)28)15-29-14-22(27)25-24/h2-5,16-18,21H,6-15H2,1H3,(H,25,27)/t16-,17?,18?,21-,24+/m0/s1
InChIKeyZISDUURQLVRWFJ-TYHGMEDLSA-N
MW428.53 g/mol
LogP2.24
Rot. Bonds

About (10S,15S,16R)-10-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione

(10S,15S,16R)-10-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 170605616) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is (10S,15S,16R)-10-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(10S,15S,16R)-10-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 CID170605616
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name(10S,15S,16R)-10-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]1COc2ccccc2C2CCC(CC2)OC[C@@H]2N(CC[C@@]23COCC(=O)N3)C1=O
InChIInChI=1S/C24H32N2O5/c1-16-12-31-20-5-3-2-4-19(20)17-6-8-18(9-7-17)30-13-21-24(10-11-26(21)23(16)28)15-29-14-22(27)25-24/h2-5,16-18,21H,6-15H2,1H3,(H,25,27)/t16-,17?,18?,21-,24+/m0/s1
InChIKeyZISDUURQLVRWFJ-TYHGMEDLSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (10S,15S,16R)-10-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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Related Compounds

(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
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
(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
CID 174260492
2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one
CID 177299736
(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione
CID 174260667
3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
CID 177299744
8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione
CID 170605485
(NE)-N-[(9R)-9-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-ylidene]methanesulfonamide
CID 156747324
(15S,16R)-15-(2-fluoroanilino)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-10-one
CID 171646547
1-fluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799240
(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
CID 167145888
(2R)-1,1,1-trifluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 164799281

Frequently Asked Questions

What is the IUPAC name of (10S,15S,16R)-10-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 (10S,15S,16R)-10-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 170605616) is (10S,15S,16R)-10-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 (10S,15S,16R)-10-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 (10S,15S,16R)-10-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]1COc2ccccc2C2CCC(CC2)OC[C@@H]2N(CC[C@@]23COCC(=O)N3)C1=O.
What is the InChIKey of (10S,15S,16R)-10-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 ZISDUURQLVRWFJ-TYHGMEDLSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-16-12-31-20-5-3-2-4-19(20)17-6-8-18(9-7-17)30-13-21-24(10-11-26(21)23(16)28)15-29-14-22(27)25-24/h2-5,16-18,21H,6-15H2,1H3,(H,25,27)/t16-,17?,18?,21-,24+/m0/s1.
What are the key properties of (10S,15S,16R)-10-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione?
(10S,15S,16R)-10-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 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,15S,16R)-10-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 170605616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).