5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one

C18H20N2O — CID 82172041

IUPAC5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(N)Cc3ccccc3)ccc21
InChIInChI=1S/C18H20N2O/c1-2-20-17-9-8-14(11-15(17)12-18(20)21)16(19)10-13-6-4-3-5-7-13/h3-9,11,16H,2,10,12,19H2,1H3
InChIKeyVPHXTQNTZZGVFM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.84
Rot. Bonds4

About 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one

5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one (PubChem CID 82172041) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one
PubChem CID82172041
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(N)Cc3ccccc3)ccc21
InChIInChI=1S/C18H20N2O/c1-2-20-17-9-8-14(11-15(17)12-18(20)21)16(19)10-13-6-4-3-5-7-13/h3-9,11,16H,2,10,12,19H2,1H3
InChIKeyVPHXTQNTZZGVFM-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-amino-2-phenoxyethyl)-1-ethyl-3H-indol-2-one
CID 82172043
1-ethyl-5-(1-hydroxypropyl)-3H-indol-2-one
CID 82172045
1-ethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172057
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610
1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
CID 43485221
6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
CID 82173906
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
1-ethyl-6-propan-2-yl-3H-indol-2-one
CID 134294019
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
1-[5-[benzyl(ethyl)amino]pentyl]-5-propan-2-yl-3H-indol-2-one
CID 67758834

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one (CID 82172041) is 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(C(N)Cc3ccccc3)ccc21.
What is the InChIKey of 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one?
The InChIKey is VPHXTQNTZZGVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20-17-9-8-14(11-15(17)12-18(20)21)16(19)10-13-6-4-3-5-7-13/h3-9,11,16H,2,10,12,19H2,1H3.
What are the key properties of 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one?
5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-phenylethyl)-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 82172041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).