6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one

C26H26N2O6 — CID 18432317

IUPAC6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one
SMILESCCOc1ccc2nc(C3CCCCC3c3nc4ccc(OCC)cc4c(=O)o3)oc(=O)c2c1
InChIInChI=1S/C26H26N2O6/c1-3-31-15-9-11-21-19(13-15)25(29)33-23(27-21)17-7-5-6-8-18(17)24-28-22-12-10-16(32-4-2)14-20(22)26(30)34-24/h9-14,17-18H,3-8H2,1-2H3
InChIKeyUPKOUZIJJQORJU-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.93
Rot. Bonds6

About 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one

6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one (PubChem CID 18432317) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one
PubChem CID18432317
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Name6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one
SMILESCCOc1ccc2nc(C3CCCCC3c3nc4ccc(OCC)cc4c(=O)o3)oc(=O)c2c1
InChIInChI=1S/C26H26N2O6/c1-3-31-15-9-11-21-19(13-15)25(29)33-23(27-21)17-7-5-6-8-18(17)24-28-22-12-10-16(32-4-2)14-20(22)26(30)34-24/h9-14,17-18H,3-8H2,1-2H3
InChIKeyUPKOUZIJJQORJU-UHFFFAOYSA-N
XLogP4.93
TPSA104.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one?
The IUPAC name of 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one (CID 18432317) is 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one is CCOc1ccc2nc(C3CCCCC3c3nc4ccc(OCC)cc4c(=O)o3)oc(=O)c2c1.
What is the InChIKey of 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one?
The InChIKey is UPKOUZIJJQORJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6/c1-3-31-15-9-11-21-19(13-15)25(29)33-23(27-21)17-7-5-6-8-18(17)24-28-22-12-10-16(32-4-2)14-20(22)26(30)34-24/h9-14,17-18H,3-8H2,1-2H3.
What are the key properties of 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one?
6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one has a molecular weight of 462.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-[2-(6-ethoxy-4-oxo-3,1-benzoxazin-2-yl)cyclohexyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 18432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).