1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one

C18H20N2O — CID 43485221

IUPAC1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
SMILESCNC(Cc1ccccc1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H20N2O/c1-19-16(10-13-6-4-3-5-7-13)14-8-9-17-15(11-14)12-18(21)20(17)2/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeySSCPMESQIULXSC-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.71
Rot. Bonds4

About 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one

1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one (PubChem CID 43485221) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
PubChem CID43485221
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one
SMILESCNC(Cc1ccccc1)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C18H20N2O/c1-19-16(10-13-6-4-3-5-7-13)14-8-9-17-15(11-14)12-18(21)20(17)2/h3-9,11,16,19H,10,12H2,1-2H3
InChIKeySSCPMESQIULXSC-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
6-(1-hydroxy-2-phenylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63107073
5-[(2-iodophenyl)-(methylamino)methyl]-1-methyl-3H-indol-2-one
CID 43485198
1-methyl-5-[methylamino(thiophen-3-yl)methyl]-3H-indol-2-one
CID 43485165
6-[2-amino-1-(methylamino)ethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 116855688
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one (CID 43485221) is 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one is CNC(Cc1ccccc1)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one?
The InChIKey is SSCPMESQIULXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-16(10-13-6-4-3-5-7-13)14-8-9-17-15(11-14)12-18(21)20(17)2/h3-9,11,16,19H,10,12H2,1-2H3.
What are the key properties of 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one?
1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(methylamino)-2-phenylethyl]-3H-indol-2-one is sourced from PubChem (CID 43485221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).