6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one

C26H26N2O5 — CID 24802973

IUPAC6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one
SMILESCOc1ccccc1OCCN1CC(COc2cccc3[nH]c4ccccc4c23)OCC1=O
InChIInChI=1S/C26H26N2O5/c1-30-22-10-4-5-11-23(22)31-14-13-28-15-18(32-17-25(28)29)16-33-24-12-6-9-21-26(24)19-7-2-3-8-20(19)27-21/h2-12,18,27H,13-17H2,1H3
InChIKeyOPUVSUMPCOUABG-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.01
Rot. Bonds8

About 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one

6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one (PubChem CID 24802973) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one.

Molecular Properties

Compound Name6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one
PubChem CID24802973
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one
SMILESCOc1ccccc1OCCN1CC(COc2cccc3[nH]c4ccccc4c23)OCC1=O
InChIInChI=1S/C26H26N2O5/c1-30-22-10-4-5-11-23(22)31-14-13-28-15-18(32-17-25(28)29)16-33-24-12-6-9-21-26(24)19-7-2-3-8-20(19)27-21/h2-12,18,27H,13-17H2,1H3
InChIKeyOPUVSUMPCOUABG-UHFFFAOYSA-N
XLogP4.01
TPSA73.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one?
The IUPAC name of 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one (CID 24802973) is 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one.
What is the SMILES notation for 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one?
The canonical SMILES for 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one is COc1ccccc1OCCN1CC(COc2cccc3[nH]c4ccccc4c23)OCC1=O.
What is the InChIKey of 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one?
The InChIKey is OPUVSUMPCOUABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-30-22-10-4-5-11-23(22)31-14-13-28-15-18(32-17-25(28)29)16-33-24-12-6-9-21-26(24)19-7-2-3-8-20(19)27-21/h2-12,18,27H,13-17H2,1H3.
What are the key properties of 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one?
6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one has a molecular weight of 446.50 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one is sourced from PubChem (CID 24802973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).