6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

C27H36N6O4 — CID 59442144

IUPAC6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2OCCOC2CCCC2)Nc2ncnc3[nH]cc(c23)C1
InChIInChI=1S/C27H36N6O4/c1-32-10-5-11-33(2)24(34)17-37-23-14-20(8-9-22(23)36-13-12-35-21-6-3-4-7-21)31-27-25-19(16-32)15-28-26(25)29-18-30-27/h8-9,14-15,18,21H,3-7,10-13,16-17H2,1-2H3,(H2,28,29,30,31)
InChIKeyFHVFOQWGRLTXIY-UHFFFAOYSA-N
MW508.62 g/mol
LogP3.71
Rot. Bonds5

About 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one

6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one (PubChem CID 59442144) has the molecular formula C27H36N6O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one.

Molecular Properties

Compound Name6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
PubChem CID59442144
Molecular FormulaC27H36N6O4
Molecular Weight508.62 g/mol
Exact Mass508.28
IUPAC Name6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2OCCOC2CCCC2)Nc2ncnc3[nH]cc(c23)C1
InChIInChI=1S/C27H36N6O4/c1-32-10-5-11-33(2)24(34)17-37-23-14-20(8-9-22(23)36-13-12-35-21-6-3-4-7-21)31-27-25-19(16-32)15-28-26(25)29-18-30-27/h8-9,14-15,18,21H,3-7,10-13,16-17H2,1-2H3,(H2,28,29,30,31)
InChIKeyFHVFOQWGRLTXIY-UHFFFAOYSA-N
XLogP3.71
TPSA104.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The IUPAC name of 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one (CID 59442144) is 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one.
What is the SMILES notation for 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The canonical SMILES for 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one is CN1CCCN(C)C(=O)COc2cc(ccc2OCCOC2CCCC2)Nc2ncnc3[nH]cc(c23)C1.
What is the InChIKey of 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
The InChIKey is FHVFOQWGRLTXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O4/c1-32-10-5-11-33(2)24(34)17-37-23-14-20(8-9-22(23)36-13-12-35-21-6-3-4-7-21)31-27-25-19(16-32)15-28-26(25)29-18-30-27/h8-9,14-15,18,21H,3-7,10-13,16-17H2,1-2H3,(H2,28,29,30,31).
What are the key properties of 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one?
6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one has a molecular weight of 508.62 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentyloxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one is sourced from PubChem (CID 59442144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).