6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one

C32H43N7O4 — CID 25183303

IUPAC6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one
SMILESCOCCN(CCOC1=CC=C2CC1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2)Cc1ccccc1
InChIInChI=1S/C32H43N7O4/c1-37-12-7-13-38(2)29(40)22-43-28-18-26(36-32-30-25(21-37)19-33-31(30)34-23-35-32)10-11-27(28)42-17-15-39(14-16-41-3)20-24-8-5-4-6-9-24/h4-6,8-11,19,23,28H,7,12-18,20-22H2,1-3H3,(H2,33,34,35,36)
InChIKeyOFNCZCFKVNUDPI-UHFFFAOYSA-N
MW589.74 g/mol
LogP3.39
Rot. Bonds9

About 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one

6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one (PubChem CID 25183303) has the molecular formula C32H43N7O4 and a molecular weight of 589.74 g/mol. Its IUPAC name is 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one.

Molecular Properties

Compound Name6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one
PubChem CID25183303
Molecular FormulaC32H43N7O4
Molecular Weight589.74 g/mol
Exact Mass589.34
IUPAC Name6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one
SMILESCOCCN(CCOC1=CC=C2CC1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2)Cc1ccccc1
InChIInChI=1S/C32H43N7O4/c1-37-12-7-13-38(2)29(40)22-43-28-18-26(36-32-30-25(21-37)19-33-31(30)34-23-35-32)10-11-27(28)42-17-15-39(14-16-41-3)20-24-8-5-4-6-9-24/h4-6,8-11,19,23,28H,7,12-18,20-22H2,1-3H3,(H2,33,34,35,36)
InChIKeyOFNCZCFKVNUDPI-UHFFFAOYSA-N
XLogP3.39
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.74
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-[benzyl(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),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-[benzyl(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),3,5,17,20(24),21-hexaen-10-one?
The IUPAC name of 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one (CID 25183303) is 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one.
What is the SMILES notation for 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one?
The canonical SMILES for 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one is COCCN(CCOC1=CC=C2CC1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2)Cc1ccccc1.
What is the InChIKey of 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one?
The InChIKey is OFNCZCFKVNUDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N7O4/c1-37-12-7-13-38(2)29(40)22-43-28-18-26(36-32-30-25(21-37)19-33-31(30)34-23-35-32)10-11-27(28)42-17-15-39(14-16-41-3)20-24-8-5-4-6-9-24/h4-6,8-11,19,23,28H,7,12-18,20-22H2,1-3H3,(H2,33,34,35,36).
What are the key properties of 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one?
6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one has a molecular weight of 589.74 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[benzyl(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),3,5,17,20(24),21-hexaen-10-one is sourced from PubChem (CID 25183303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).