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

C32H38N2O5 — CID 73346438

IUPAC3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C32H38N2O5/c1-31(2,3)22-10-12-27(39-19-16-34-14-17-38-18-15-34)25(20-22)32(23-11-13-28(36-4)29(21-23)37-5)24-8-6-7-9-26(24)33-30(32)35/h6-13,20-21H,14-19H2,1-5H3,(H,33,35)
InChIKeyDZRZMERMCXWRSP-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.00
Rot. Bonds8

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

3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one (PubChem CID 73346438) has the molecular formula C32H38N2O5 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one
PubChem CID73346438
Molecular FormulaC32H38N2O5
Molecular Weight530.67 g/mol
Exact Mass530.28
IUPAC Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C32H38N2O5/c1-31(2,3)22-10-12-27(39-19-16-34-14-17-38-18-15-34)25(20-22)32(23-11-13-28(36-4)29(21-23)37-5)24-8-6-7-9-26(24)33-30(32)35/h6-13,20-21H,14-19H2,1-5H3,(H,33,35)
InChIKeyDZRZMERMCXWRSP-UHFFFAOYSA-N
XLogP5.00
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.67
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one (CID 73346438) is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one is COc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1OC.
What is the InChIKey of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one?
The InChIKey is DZRZMERMCXWRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O5/c1-31(2,3)22-10-12-27(39-19-16-34-14-17-38-18-15-34)25(20-22)32(23-11-13-28(36-4)29(21-23)37-5)24-8-6-7-9-26(24)33-30(32)35/h6-13,20-21H,14-19H2,1-5H3,(H,33,35).
What are the key properties of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one?
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one has a molecular weight of 530.67 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4-dimethoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 73346438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).