4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one

C23H28N2O2 — CID 70433950

IUPAC4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one
SMILESCC(C)(C)NCC(O)Cc1ccc(C=Cc2cccc3c2CC(=O)N3)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)24-15-19(26)13-17-9-7-16(8-10-17)11-12-18-5-4-6-21-20(18)14-22(27)25-21/h4-12,19,24,26H,13-15H2,1-3H3,(H,25,27)
InChIKeyBGCBRCQKGAYWNW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.64
Rot. Bonds6

About 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one

4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one (PubChem CID 70433950) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one
PubChem CID70433950
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one
SMILESCC(C)(C)NCC(O)Cc1ccc(C=Cc2cccc3c2CC(=O)N3)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)24-15-19(26)13-17-9-7-16(8-10-17)11-12-18-5-4-6-21-20(18)14-22(27)25-21/h4-12,19,24,26H,13-15H2,1-3H3,(H,25,27)
InChIKeyBGCBRCQKGAYWNW-UHFFFAOYSA-N
XLogP3.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-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 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one (CID 70433950) is 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one is CC(C)(C)NCC(O)Cc1ccc(C=Cc2cccc3c2CC(=O)N3)cc1.
What is the InChIKey of 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one?
The InChIKey is BGCBRCQKGAYWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)24-15-19(26)13-17-9-7-16(8-10-17)11-12-18-5-4-6-21-20(18)14-22(27)25-21/h4-12,19,24,26H,13-15H2,1-3H3,(H,25,27).
What are the key properties of 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one?
4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(tert-butylamino)-2-hydroxypropyl]phenyl]ethenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 70433950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).