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

C29H32N2O3 — CID 73357077

IUPAC3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3ccc(CN4CCOCC4)cc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C29H32N2O3/c1-28(2,3)22-12-13-26(32)24(18-22)29(23-6-4-5-7-25(23)30-27(29)33)21-10-8-20(9-11-21)19-31-14-16-34-17-15-31/h4-13,18,32H,14-17,19H2,1-3H3,(H,30,33)
InChIKeyOOOJTORWSWGPOT-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.81
Rot. Bonds4

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

3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one (PubChem CID 73357077) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
PubChem CID73357077
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one
SMILESCC(C)(C)c1ccc(O)c(C2(c3ccc(CN4CCOCC4)cc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C29H32N2O3/c1-28(2,3)22-12-13-26(32)24(18-22)29(23-6-4-5-7-25(23)30-27(29)33)21-10-8-20(9-11-21)19-31-14-16-34-17-15-31/h4-13,18,32H,14-17,19H2,1-3H3,(H,30,33)
InChIKeyOOOJTORWSWGPOT-UHFFFAOYSA-N
XLogP4.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
The IUPAC name of 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one (CID 73357077) is 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one.
What is the SMILES notation for 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
The canonical SMILES for 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one is CC(C)(C)c1ccc(O)c(C2(c3ccc(CN4CCOCC4)cc3)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
The InChIKey is OOOJTORWSWGPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-28(2,3)22-12-13-26(32)24(18-22)29(23-6-4-5-7-25(23)30-27(29)33)21-10-8-20(9-11-21)19-31-14-16-34-17-15-31/h4-13,18,32H,14-17,19H2,1-3H3,(H,30,33).
What are the key properties of 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one?
3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one has a molecular weight of 456.59 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-hydroxyphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indol-2-one is sourced from PubChem (CID 73357077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).