(1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione

C23H24N2O6 — CID 90665795

IUPAC(1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione
SMILESCc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(n(C)c(=O)n(C)c2=O)OC1(C)C
InChIInChI=1S/C23H24N2O6/c1-10-11(2)30-19-12(18(10)26)7-8-14-16(19)15-13(9-29-14)23(3,4)31-21-17(15)20(27)24(5)22(28)25(21)6/h7-8,13,15H,9H2,1-6H3/t13-,15-/m0/s1
InChIKeyDPCPPBLJAHWTJU-ZFWWWQNUSA-N
MW424.45 g/mol
LogP2.12
Rot. Bonds

About (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione

(1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione (PubChem CID 90665795) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione.

Molecular Properties

Compound Name(1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione
PubChem CID90665795
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name(1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione
SMILESCc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(n(C)c(=O)n(C)c2=O)OC1(C)C
InChIInChI=1S/C23H24N2O6/c1-10-11(2)30-19-12(18(10)26)7-8-14-16(19)15-13(9-29-14)23(3,4)31-21-17(15)20(27)24(5)22(28)25(21)6/h7-8,13,15H,9H2,1-6H3/t13-,15-/m0/s1
InChIKeyDPCPPBLJAHWTJU-ZFWWWQNUSA-N
XLogP2.12
TPSA92.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione?
The IUPAC name of (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione (CID 90665795) is (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione.
What is the SMILES notation for (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione?
The canonical SMILES for (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione is Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(n(C)c(=O)n(C)c2=O)OC1(C)C.
What is the InChIKey of (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione?
The InChIKey is DPCPPBLJAHWTJU-ZFWWWQNUSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-10-11(2)30-19-12(18(10)26)7-8-14-16(19)15-13(9-29-14)23(3,4)31-21-17(15)20(27)24(5)22(28)25(21)6/h7-8,13,15H,9H2,1-6H3/t13-,15-/m0/s1.
What are the key properties of (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione?
(1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione has a molecular weight of 424.45 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,14R)-5,6,15,15,18,20-hexamethyl-4,12,16-trioxa-18,20-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-2(11),3(8),5,9,17(22)-pentaene-7,19,21-trione is sourced from PubChem (CID 90665795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).