(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate

C23H24N2O4 — CID 24520183

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-2-24-16-19(18-10-6-7-11-20(18)24)23(27)29-21(17-8-4-3-5-9-17)22(26)25-12-14-28-15-13-25/h3-11,16,21H,2,12-15H2,1H3
InChIKeyULYVGHDJKACXBU-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.42
Rot. Bonds5

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate (PubChem CID 24520183) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
PubChem CID24520183
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-2-24-16-19(18-10-6-7-11-20(18)24)23(27)29-21(17-8-4-3-5-9-17)22(26)25-12-14-28-15-13-25/h3-11,16,21H,2,12-15H2,1H3
InChIKeyULYVGHDJKACXBU-UHFFFAOYSA-N
XLogP3.42
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
CID 24519167
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-methoxybenzoate
CID 18198778
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 18199540
(2-morpholin-4-yl-2-oxo-1-phenylethyl) thiophene-2-carboxylate
CID 17446175
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(trifluoromethoxy)benzoate
CID 51110252
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate (CID 24520183) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate is CCn1cc(C(=O)OC(C(=O)N2CCOCC2)c2ccccc2)c2ccccc21.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate?
The InChIKey is ULYVGHDJKACXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-24-16-19(18-10-6-7-11-20(18)24)23(27)29-21(17-8-4-3-5-9-17)22(26)25-12-14-28-15-13-25/h3-11,16,21H,2,12-15H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate is sourced from PubChem (CID 24520183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).