1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione

C26H30N2O8 — CID 102385727

IUPAC1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione
SMILESCC12COC(=O)c3cccc(n3)C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2
InChIInChI=1S/C26H30N2O8/c1-23-11-31-21(29)17-7-5-8-18(27-17)22(30)32-12-24(2)15-35-26(4,36-16-24)20-10-6-9-19(28-20)25(3,33-13-23)34-14-23/h5-10H,11-16H2,1-4H3
InChIKeyIKLGXSXUOBKDOY-UHFFFAOYSA-N
MW498.53 g/mol
LogP2.96
Rot. Bonds

About 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione

1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione (PubChem CID 102385727) has the molecular formula C26H30N2O8 and a molecular weight of 498.53 g/mol. Its IUPAC name is 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione.

Molecular Properties

Compound Name1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione
PubChem CID102385727
Molecular FormulaC26H30N2O8
Molecular Weight498.53 g/mol
Exact Mass498.20
IUPAC Name1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione
SMILESCC12COC(=O)c3cccc(n3)C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2
InChIInChI=1S/C26H30N2O8/c1-23-11-31-21(29)17-7-5-8-18(27-17)22(30)32-12-24(2)15-35-26(4,36-16-24)20-10-6-9-19(28-20)25(3,33-13-23)34-14-23/h5-10H,11-16H2,1-4H3
InChIKeyIKLGXSXUOBKDOY-UHFFFAOYSA-N
XLogP2.96
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione with MolForge

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
Dimethyl pyridine-2,6-carboxylate
CID 79549
Ethyl 6-acetylpyridine-2-carboxylate
CID 11586434
3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CID 326421
Ethyl 6-methylpyridine-2-carboxylate
CID 564597
Isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
CID 91703257
Diisopropyl pyridine-2,6-dicarboxylate
CID 746767
Dipentyl pyridine-2,6-dicarboxylate
CID 1725701
Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate
CID 11477388
Ethyl 6-formylpyridine-2-carboxylate
CID 44206644
Bis(2-methoxycarbonylprop-2-enyl) pyridine-2,6-dicarboxylate
CID 137658262

Frequently Asked Questions

What is the IUPAC name of 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione?
The IUPAC name of 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione (CID 102385727) is 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione.
What is the SMILES notation for 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione?
The canonical SMILES for 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione is CC12COC(=O)c3cccc(n3)C(=O)OCC3(C)COC(C)(OC3)c3cccc(n3)C(C)(OC1)OC2.
What is the InChIKey of 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione?
The InChIKey is IKLGXSXUOBKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O8/c1-23-11-31-21(29)17-7-5-8-18(27-17)22(30)32-12-24(2)15-35-26(4,36-16-24)20-10-6-9-19(28-20)25(3,33-13-23)34-14-23/h5-10H,11-16H2,1-4H3.
What are the key properties of 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione?
1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione has a molecular weight of 498.53 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,10,22-tetramethyl-8,12,20,24,25,29-hexaoxa-27,30-diazapentacyclo[20.2.2.27,10.12,6.114,18]triaconta-2(30),3,5,14,16,18(27)-hexaene-13,19-dione is sourced from PubChem (CID 102385727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).