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

C32H38N2O5 — CID 73357076

IUPAC3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC)cc32)cc1
InChIInChI=1S/C32H38N2O5/c1-31(2,3)23-8-13-29(39-19-16-34-14-17-38-18-15-34)27(20-23)32(22-6-9-24(36-4)10-7-22)26-21-25(37-5)11-12-28(26)33-30(32)35/h6-13,20-21H,14-19H2,1-5H3,(H,33,35)
InChIKeyGQNQTRYEYHQKDC-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.00
Rot. Bonds8

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

3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one (PubChem CID 73357076) 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]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one
PubChem CID73357076
Molecular FormulaC32H38N2O5
Molecular Weight530.67 g/mol
Exact Mass530.28
IUPAC Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one
SMILESCOc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC)cc32)cc1
InChIInChI=1S/C32H38N2O5/c1-31(2,3)23-8-13-29(39-19-16-34-14-17-38-18-15-34)27(20-23)32(22-6-9-24(36-4)10-7-22)26-21-25(37-5)11-12-28(26)33-30(32)35/h6-13,20-21H,14-19H2,1-5H3,(H,33,35)
InChIKeyGQNQTRYEYHQKDC-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]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one?
The IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one (CID 73357076) is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one?
The canonical SMILES for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one is COc1ccc(C2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC)cc32)cc1.
What is the InChIKey of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one?
The InChIKey is GQNQTRYEYHQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O5/c1-31(2,3)23-8-13-29(39-19-16-34-14-17-38-18-15-34)27(20-23)32(22-6-9-24(36-4)10-7-22)26-21-25(37-5)11-12-28(26)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]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one?
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-5-methoxy-3-(4-methoxyphenyl)-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]-5-methoxy-3-(4-methoxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 73357076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).