3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one

C17H18N2O2 — CID 86047957

IUPAC3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one
SMILESCCC1(NOCc2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-2-17(19-21-12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-16(17)20/h3-11,19H,2,12H2,1H3,(H,18,20)
InChIKeyAAMFIBYNCOZUDL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.97
Rot. Bonds5

About 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one

3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one (PubChem CID 86047957) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one
PubChem CID86047957
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one
SMILESCCC1(NOCc2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-2-17(19-21-12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-16(17)20/h3-11,19H,2,12H2,1H3,(H,18,20)
InChIKeyAAMFIBYNCOZUDL-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[(1S)-1-methoxyethyl]-3-(phenylmethoxyamino)-1,4-dihydroquinolin-2-one
CID 159322138
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 132839196
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(2-oxo-3-phenylmethoxy-1H-indol-3-yl)carbamate
CID 135027349
3,3-dimethoxy-1H-indol-2-one;ethane
CID 54484011
3-ethyl-3-propan-2-yl-1H-indol-2-one
CID 45094674
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
9-ethyl-9-methyl-10H-acridine
CID 22754271
3-fluoro-3-[2-(2-phenylethylamino)ethyl]-1H-indol-2-one
CID 101057345
(5S)-5-ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
CID 45095321
3-azido-3-benzyl-1H-indol-2-one
CID 170607134

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one (CID 86047957) is 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one is CCC1(NOCc2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one?
The InChIKey is AAMFIBYNCOZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-17(19-21-12-13-8-4-3-5-9-13)14-10-6-7-11-15(14)18-16(17)20/h3-11,19H,2,12H2,1H3,(H,18,20).
What are the key properties of 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one?
3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(phenylmethoxyamino)-1H-indol-2-one is sourced from PubChem (CID 86047957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).