1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

C24H26N2O4 — CID 2976921

IUPAC1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccccc1OCCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H26N2O4/c1-18-7-2-5-10-22(18)30-14-6-11-26-17-20(19-8-3-4-9-21(19)26)23(27)24(28)25-12-15-29-16-13-25/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeyJLSGDHPMIHMMPB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.46
Rot. Bonds7

About 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione

1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2976921) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID2976921
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccccc1OCCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C24H26N2O4/c1-18-7-2-5-10-22(18)30-14-6-11-26-17-20(19-8-3-4-9-21(19)26)23(27)24(28)25-12-15-29-16-13-25/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeyJLSGDHPMIHMMPB-UHFFFAOYSA-N
XLogP3.46
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione with MolForge

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
AM-630
CID 4302963
Jwh 250
CID 44397540
Pravadoline
CID 56463
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
1-[2-(2-methoxyphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 675068
4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11517940

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 2976921) is 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is Cc1ccccc1OCCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is JLSGDHPMIHMMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-18-7-2-5-10-22(18)30-14-6-11-26-17-20(19-8-3-4-9-21(19)26)23(27)24(28)25-12-15-29-16-13-25/h2-5,7-10,17H,6,11-16H2,1H3.
What are the key properties of 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 406.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2976921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).