2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone

C22H26N2O4 — CID 110316227

IUPAC2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1OC
InChIInChI=1S/C22H26N2O4/c1-26-20-6-3-16(13-21(20)27-2)14-22(25)24-8-7-17-15-18(4-5-19(17)24)23-9-11-28-12-10-23/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyNCXKAJDNHXSIMK-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.67
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 110316227) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID110316227
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1OC
InChIInChI=1S/C22H26N2O4/c1-26-20-6-3-16(13-21(20)27-2)14-22(25)24-8-7-17-15-18(4-5-19(17)24)23-9-11-28-12-10-23/h3-6,13,15H,7-12,14H2,1-2H3
InChIKeyNCXKAJDNHXSIMK-UHFFFAOYSA-N
XLogP2.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone (CID 110316227) is 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone is COc1ccc(CC(=O)N2CCc3cc(N4CCOCC4)ccc32)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is NCXKAJDNHXSIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-20-6-3-16(13-21(20)27-2)14-22(25)24-8-7-17-15-18(4-5-19(17)24)23-9-11-28-12-10-23/h3-6,13,15H,7-12,14H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110316227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).