3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one

C31H36N2O4 — CID 73353996

IUPAC3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C31H36N2O4/c1-30(2,3)23-11-14-28(37-20-17-33-15-18-36-19-16-33)26(21-23)31(22-9-12-24(35-4)13-10-22)25-7-5-6-8-27(25)32-29(31)34/h5-14,21H,15-20H2,1-4H3,(H,32,34)
InChIKeyGBDYEVIVDCFIHW-UHFFFAOYSA-N
MW500.64 g/mol
LogP4.99
Rot. Bonds7

About 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one

3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one (PubChem CID 73353996) has the molecular formula C31H36N2O4 and a molecular weight of 500.64 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one
PubChem CID73353996
Molecular FormulaC31H36N2O4
Molecular Weight500.64 g/mol
Exact Mass500.27
IUPAC Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C31H36N2O4/c1-30(2,3)23-11-14-28(37-20-17-33-15-18-36-19-16-33)26(21-23)31(22-9-12-24(35-4)13-10-22)25-7-5-6-8-27(25)32-29(31)34/h5-14,21H,15-20H2,1-4H3,(H,32,34)
InChIKeyGBDYEVIVDCFIHW-UHFFFAOYSA-N
XLogP4.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one (CID 73353996) is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one is COc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one?
The InChIKey is GBDYEVIVDCFIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O4/c1-30(2,3)23-11-14-28(37-20-17-33-15-18-36-19-16-33)26(21-23)31(22-9-12-24(35-4)13-10-22)25-7-5-6-8-27(25)32-29(31)34/h5-14,21H,15-20H2,1-4H3,(H,32,34).
What are the key properties of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one?
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one has a molecular weight of 500.64 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(4-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 73353996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).