1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one

C20H26N2O2 — CID 141032974

IUPAC1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
SMILESCC(C)CNCCOc1ccc(-n2ccc3c2CCCC3=O)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)14-21-11-13-24-17-8-6-16(7-9-17)22-12-10-18-19(22)4-3-5-20(18)23/h6-10,12,15,21H,3-5,11,13-14H2,1-2H3
InChIKeyMFJHEWWRAFFAFO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.62
Rot. Bonds7

About 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one

1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 141032974) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
PubChem CID141032974
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
SMILESCC(C)CNCCOc1ccc(-n2ccc3c2CCCC3=O)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)14-21-11-13-24-17-8-6-16(7-9-17)22-12-10-18-19(22)4-3-5-20(18)23/h6-10,12,15,21H,3-5,11,13-14H2,1-2H3
InChIKeyMFJHEWWRAFFAFO-UHFFFAOYSA-N
XLogP3.62
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032966
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
CID 107801156
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
N-[3-(4-bromophenoxy)propyl]-2-methylpropan-1-amine
CID 62455102
N-(2-methylpropyl)-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)propanamide
CID 113411042
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 83140093
methyl 4-methyl-3-(4-oxo-6,7-dihydro-5H-indol-1-yl)thiophene-2-carboxylate
CID 114916536
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
1-(3-methyl-2-propan-2-ylbutyl)-6,7-dihydro-5H-indol-4-one
CID 102907877
tert-butyl N-[4-[2-(2-methylpropylamino)ethoxy]phenyl]carbamate
CID 107243419

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one (CID 141032974) is 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one is CC(C)CNCCOc1ccc(-n2ccc3c2CCCC3=O)cc1.
What is the InChIKey of 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is MFJHEWWRAFFAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)14-21-11-13-24-17-8-6-16(7-9-17)22-12-10-18-19(22)4-3-5-20(18)23/h6-10,12,15,21H,3-5,11,13-14H2,1-2H3.
What are the key properties of 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 326.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141032974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).