1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone

C22H22N2O4 — CID 2219494

IUPAC1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone
SMILESO=C(COc1ccccc1)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C22H22N2O4/c25-21(16-28-17-6-2-1-3-7-17)19-14-24(20-9-5-4-8-18(19)20)15-22(26)23-10-12-27-13-11-23/h1-9,14H,10-13,15-16H2
InChIKeyHKIGYDHBNMQMAM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.76
Rot. Bonds6

About 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone

1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone (PubChem CID 2219494) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone
PubChem CID2219494
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone
SMILESO=C(COc1ccccc1)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C22H22N2O4/c25-21(16-28-17-6-2-1-3-7-17)19-14-24(20-9-5-4-8-18(19)20)15-22(26)23-10-12-27-13-11-23/h1-9,14H,10-13,15-16H2
InChIKeyHKIGYDHBNMQMAM-UHFFFAOYSA-N
XLogP2.76
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone (CID 2219494) is 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone is O=C(COc1ccccc1)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone?
The InChIKey is HKIGYDHBNMQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-21(16-28-17-6-2-1-3-7-17)19-14-24(20-9-5-4-8-18(19)20)15-22(26)23-10-12-27-13-11-23/h1-9,14H,10-13,15-16H2.
What are the key properties of 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone?
1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone has a molecular weight of 378.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-(2-phenoxyacetyl)indol-1-yl]ethanone is sourced from PubChem (CID 2219494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).