6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one

C23H32N6O4 — CID 25183448

IUPAC6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
SMILESCCOCCOC1=CC=C2CC1OCC(=O)N(C)CCCNCc1c[nH]c3ncnc(c13)N2
InChIInChI=1S/C23H32N6O4/c1-3-31-9-10-32-18-6-5-17-11-19(18)33-14-20(30)29(2)8-4-7-24-12-16-13-25-22-21(16)23(28-17)27-15-26-22/h5-6,13,15,19,24H,3-4,7-12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyGZAWTRMWULUABZ-UHFFFAOYSA-N
MW456.55 g/mol
LogP1.93
Rot. Bonds5

About 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one

6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one (PubChem CID 25183448) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
PubChem CID25183448
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one
SMILESCCOCCOC1=CC=C2CC1OCC(=O)N(C)CCCNCc1c[nH]c3ncnc(c13)N2
InChIInChI=1S/C23H32N6O4/c1-3-31-9-10-32-18-6-5-17-11-19(18)33-14-20(30)29(2)8-4-7-24-12-16-13-25-22-21(16)23(28-17)27-15-26-22/h5-6,13,15,19,24H,3-4,7-12,14H2,1-2H3,(H2,25,26,27,28)
InChIKeyGZAWTRMWULUABZ-UHFFFAOYSA-N
XLogP1.93
TPSA113.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one?
The IUPAC name of 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one (CID 25183448) is 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one.
What is the SMILES notation for 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one?
The canonical SMILES for 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one is CCOCCOC1=CC=C2CC1OCC(=O)N(C)CCCNCc1c[nH]c3ncnc(c13)N2.
What is the InChIKey of 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one?
The InChIKey is GZAWTRMWULUABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-3-31-9-10-32-18-6-5-17-11-19(18)33-14-20(30)29(2)8-4-7-24-12-16-13-25-22-21(16)23(28-17)27-15-26-22/h5-6,13,15,19,24H,3-4,7-12,14H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one?
6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one has a molecular weight of 456.55 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3,5,17,20(24),21-hexaen-10-one is sourced from PubChem (CID 25183448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).