1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone

C24H28N2O4 — CID 645048

IUPAC1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)CN3CCOCC3)cc12
InChIInChI=1S/C24H28N2O4/c1-17-24(18(2)27)22-14-21(30-16-20(28)15-25-10-12-29-13-11-25)8-9-23(22)26(17)19-6-4-3-5-7-19/h3-9,14,20,28H,10-13,15-16H2,1-2H3
InChIKeyWVABONJOWJOYLA-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.21
Rot. Bonds7

About 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone

1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone (PubChem CID 645048) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone
PubChem CID645048
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)CN3CCOCC3)cc12
InChIInChI=1S/C24H28N2O4/c1-17-24(18(2)27)22-14-21(30-16-20(28)15-25-10-12-29-13-11-25)8-9-23(22)26(17)19-6-4-3-5-7-19/h3-9,14,20,28H,10-13,15-16H2,1-2H3
InChIKeyWVABONJOWJOYLA-UHFFFAOYSA-N
XLogP3.21
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone (CID 645048) is 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone is CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)CN3CCOCC3)cc12.
What is the InChIKey of 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone?
The InChIKey is WVABONJOWJOYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17-24(18(2)27)22-14-21(30-16-20(28)15-25-10-12-29-13-11-25)8-9-23(22)26(17)19-6-4-3-5-7-19/h3-9,14,20,28H,10-13,15-16H2,1-2H3.
What are the key properties of 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone?
1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone has a molecular weight of 408.50 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxy-3-morpholin-4-ylpropoxy)-2-methyl-1-phenylindol-3-yl]ethanone is sourced from PubChem (CID 645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).