11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene

C22H32N4O2 — CID 11338105

IUPAC11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
SMILESCc1ccc2c(c1)NCCOCCNc1cc(C)ccc1NCCOCCN2
InChIInChI=1S/C22H32N4O2/c1-17-3-5-19-21(15-17)25-9-13-28-14-10-26-22-16-18(2)4-6-20(22)24-8-12-27-11-7-23-19/h3-6,15-16,23-26H,7-14H2,1-2H3
InChIKeyGJYWUPCKGJUQRB-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.70
Rot. Bonds

About 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene

11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene (PubChem CID 11338105) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene.

Molecular Properties

Compound Name11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
PubChem CID11338105
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
SMILESCc1ccc2c(c1)NCCOCCNc1cc(C)ccc1NCCOCCN2
InChIInChI=1S/C22H32N4O2/c1-17-3-5-19-21(15-17)25-9-13-28-14-10-26-22-16-18(2)4-6-20(22)24-8-12-27-11-7-23-19/h3-6,15-16,23-26H,7-14H2,1-2H3
InChIKeyGJYWUPCKGJUQRB-UHFFFAOYSA-N
XLogP3.70
TPSA66.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene with MolForge

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Related Compounds

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CID 11283208
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CID 15514788
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Frequently Asked Questions

What is the IUPAC name of 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene?
The IUPAC name of 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene (CID 11338105) is 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene.
What is the SMILES notation for 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene?
The canonical SMILES for 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene is Cc1ccc2c(c1)NCCOCCNc1cc(C)ccc1NCCOCCN2.
What is the InChIKey of 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene?
The InChIKey is GJYWUPCKGJUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-3-5-19-21(15-17)25-9-13-28-14-10-26-22-16-18(2)4-6-20(22)24-8-12-27-11-7-23-19/h3-6,15-16,23-26H,7-14H2,1-2H3.
What are the key properties of 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene?
11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene has a molecular weight of 384.52 g/mol, XLogP of 3.70, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,25-dimethyl-5,18-dioxa-2,8,15,21-tetrazatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene is sourced from PubChem (CID 11338105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).