6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one

C27H41N7O4 — CID 25183300

IUPAC6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one
SMILESCCN(CCOC)CCOC1=C2CC(C=C1)Nc1ncnc3[nH]cc(c13)CN(C)CCCN(C)C(=O)CO2
InChIInChI=1S/C27H41N7O4/c1-5-34(11-13-36-4)12-14-37-22-8-7-21-15-23(22)38-18-24(35)33(3)10-6-9-32(2)17-20-16-28-26-25(20)27(31-21)30-19-29-26/h7-8,16,19,21H,5-6,9-15,17-18H2,1-4H3,(H2,28,29,30,31)
InChIKeyKYUMLDRDOVFVFG-UHFFFAOYSA-N
MW527.67 g/mol
LogP2.21
Rot. Bonds8

About 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one

6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one (PubChem CID 25183300) has the molecular formula C27H41N7O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one.

Molecular Properties

Compound Name6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one
PubChem CID25183300
Molecular FormulaC27H41N7O4
Molecular Weight527.67 g/mol
Exact Mass527.32
IUPAC Name6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one
SMILESCCN(CCOC)CCOC1=C2CC(C=C1)Nc1ncnc3[nH]cc(c13)CN(C)CCCN(C)C(=O)CO2
InChIInChI=1S/C27H41N7O4/c1-5-34(11-13-36-4)12-14-37-22-8-7-21-15-23(22)38-18-24(35)33(3)10-6-9-32(2)17-20-16-28-26-25(20)27(31-21)30-19-29-26/h7-8,16,19,21H,5-6,9-15,17-18H2,1-4H3,(H2,28,29,30,31)
InChIKeyKYUMLDRDOVFVFG-UHFFFAOYSA-N
XLogP2.21
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one?
The IUPAC name of 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one (CID 25183300) is 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one.
What is the SMILES notation for 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one?
The canonical SMILES for 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one is CCN(CCOC)CCOC1=C2CC(C=C1)Nc1ncnc3[nH]cc(c13)CN(C)CCCN(C)C(=O)CO2.
What is the InChIKey of 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one?
The InChIKey is KYUMLDRDOVFVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O4/c1-5-34(11-13-36-4)12-14-37-22-8-7-21-15-23(22)38-18-24(35)33(3)10-6-9-32(2)17-20-16-28-26-25(20)27(31-21)30-19-29-26/h7-8,16,19,21H,5-6,9-15,17-18H2,1-4H3,(H2,28,29,30,31).
What are the key properties of 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one?
6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one has a molecular weight of 527.67 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(2-methoxyethyl)amino]ethoxy]-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),4,6,17,20(24),21-hexaen-10-one is sourced from PubChem (CID 25183300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).