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

C30H34N2O3 — CID 73352517

IUPAC3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one
SMILESCC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3ccccc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C30H34N2O3/c1-29(2,3)23-13-14-27(35-20-17-32-15-18-34-19-16-32)25(21-23)30(22-9-5-4-6-10-22)24-11-7-8-12-26(24)31-28(30)33/h4-14,21H,15-20H2,1-3H3,(H,31,33)
InChIKeyNUULTXBAZJANIR-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.98
Rot. Bonds6

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

3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one (PubChem CID 73352517) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one
PubChem CID73352517
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one
SMILESCC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3ccccc3)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C30H34N2O3/c1-29(2,3)23-13-14-27(35-20-17-32-15-18-34-19-16-32)25(21-23)30(22-9-5-4-6-10-22)24-11-7-8-12-26(24)31-28(30)33/h4-14,21H,15-20H2,1-3H3,(H,31,33)
InChIKeyNUULTXBAZJANIR-UHFFFAOYSA-N
XLogP4.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one (CID 73352517) is 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one is CC(C)(C)c1ccc(OCCN2CCOCC2)c(C2(c3ccccc3)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one?
The InChIKey is NUULTXBAZJANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-29(2,3)23-13-14-27(35-20-17-32-15-18-34-19-16-32)25(21-23)30(22-9-5-4-6-10-22)24-11-7-8-12-26(24)31-28(30)33/h4-14,21H,15-20H2,1-3H3,(H,31,33).
What are the key properties of 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one?
3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one has a molecular weight of 470.61 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-2-(2-morpholin-4-ylethoxy)phenyl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 73352517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).