5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one

C20H25N3O — CID 123326155

IUPAC5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(N)c(NC(C)c3ccccc3)cc21
InChIInChI=1S/C20H25N3O/c1-5-23-18-12-17(22-13(2)14-9-7-6-8-10-14)16(21)11-15(18)20(3,4)19(23)24/h6-13,22H,5,21H2,1-4H3
InChIKeyLDFPQAVRBXFVPI-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.09
Rot. Bonds4

About 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one

5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one (PubChem CID 123326155) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one.

Molecular Properties

Compound Name5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one
PubChem CID123326155
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(N)c(NC(C)c3ccccc3)cc21
InChIInChI=1S/C20H25N3O/c1-5-23-18-12-17(22-13(2)14-9-7-6-8-10-14)16(21)11-15(18)20(3,4)19(23)24/h6-13,22H,5,21H2,1-4H3
InChIKeyLDFPQAVRBXFVPI-UHFFFAOYSA-N
XLogP4.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 562745
Amedalin
CID 31075
3,3-dimethyl-7-(methylamino)-1H-indol-2-one
CID 156024950
1'-[(1R)-3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16038376
1'-[(1R)-1-(3-fluorophenyl)-3-(methylamino)propyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
CID 16067546
(R)-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067550
(R)-7-fluoro-3,3-dimethyl-1-(3-(methylamino)-1-phenylpropyl)indolin-2-one
CID 16067551
3-ethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1H-indol-2-one
CID 24854368
N-(2-Oxo-1-phenethyl-2,3-dihydro-1H-indol-3-yl)-acetamide
CID 646107
N-methyl-1-(2-phenylacetyl)indoline-2-carboxamide
CID 18587977
2-amino-N-[[2-(2,3-dihydroindole-1-carbonyl)-2-phenylcyclopropyl]methyl]acetamide
CID 44454663
(E)-5-Amino-3-(4-diethylamino-benzylidene)-1,3-dihydroindol-2-one
CID 46233145

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one?
The IUPAC name of 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one (CID 123326155) is 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one.
What is the SMILES notation for 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one?
The canonical SMILES for 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one is CCN1C(=O)C(C)(C)c2cc(N)c(NC(C)c3ccccc3)cc21.
What is the InChIKey of 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one?
The InChIKey is LDFPQAVRBXFVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-5-23-18-12-17(22-13(2)14-9-7-6-8-10-14)16(21)11-15(18)20(3,4)19(23)24/h6-13,22H,5,21H2,1-4H3.
What are the key properties of 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one?
5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one has a molecular weight of 323.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3,3-dimethyl-6-(1-phenylethylamino)indol-2-one is sourced from PubChem (CID 123326155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).