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

C23H24N2O4 — CID 2232358

IUPAC1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccccc1OCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-17-6-2-5-9-21(17)29-15-12-25-16-19(18-7-3-4-8-20(18)25)22(26)23(27)24-10-13-28-14-11-24/h2-9,16H,10-15H2,1H3
InChIKeyDPZVXZZNYVJLFN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.07
Rot. Bonds6

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

1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 2232358) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID2232358
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccccc1OCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C23H24N2O4/c1-17-6-2-5-9-21(17)29-15-12-25-16-19(18-7-3-4-8-20(18)25)22(26)23(27)24-10-13-28-14-11-24/h2-9,16H,10-15H2,1H3
InChIKeyDPZVXZZNYVJLFN-UHFFFAOYSA-N
XLogP3.07
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione (CID 2232358) is 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is Cc1ccccc1OCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is DPZVXZZNYVJLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-6-2-5-9-21(17)29-15-12-25-16-19(18-7-3-4-8-20(18)25)22(26)23(27)24-10-13-28-14-11-24/h2-9,16H,10-15H2,1H3.
What are the key properties of 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 392.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 2232358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).