(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate

C22H22N2O4 — CID 24519167

IUPAC(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15-19(17-9-5-6-10-18(17)23-15)22(26)28-20(16-7-3-2-4-8-16)21(25)24-11-13-27-14-12-24/h2-10,20,23H,11-14H2,1H3
InChIKeyFKHXFPWJUSJKNS-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.23
Rot. Bonds4

About (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate (PubChem CID 24519167) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
PubChem CID24519167
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)OC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-15-19(17-9-5-6-10-18(17)23-15)22(26)28-20(16-7-3-2-4-8-16)21(25)24-11-13-27-14-12-24/h2-10,20,23H,11-14H2,1H3
InChIKeyFKHXFPWJUSJKNS-UHFFFAOYSA-N
XLogP3.23
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2,6-dichlorobenzoate
CID 18198853
1-phenylethyl 2-methyl-1H-indole-3-carboxylate
CID 142169853
(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) 4-methoxybenzoate
CID 18198778
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 1-ethylindole-3-carboxylate
CID 24520183
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate
CID 8913443
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-acetylthiophene-2-carboxylate
CID 18123272
(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] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8913161
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
CID 45353288
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate (CID 24519167) is (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate is Cc1[nH]c2ccccc2c1C(=O)OC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate?
The InChIKey is FKHXFPWJUSJKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-19(17-9-5-6-10-18(17)23-15)22(26)28-20(16-7-3-2-4-8-16)21(25)24-11-13-27-14-12-24/h2-10,20,23H,11-14H2,1H3.
What are the key properties of (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate?
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxo-1-phenylethyl) 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 24519167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).