(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one

C24H20N2O — CID 57379529

IUPAC(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
SMILESCc1ccc2c(c1)[C@](N)(C#Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H20N2O/c1-18-12-13-22-21(16-18)24(25,15-14-19-8-4-2-5-9-19)23(27)26(22)17-20-10-6-3-7-11-20/h2-13,16H,17,25H2,1H3/t24-/m1/s1
InChIKeyYGGBLFKUBSWJTL-XMMPIXPASA-N
MW352.44 g/mol
LogP3.75
Rot. Bonds2

About (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one

(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one (PubChem CID 57379529) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
PubChem CID57379529
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
SMILESCc1ccc2c(c1)[C@](N)(C#Cc1ccccc1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H20N2O/c1-18-12-13-22-21(16-18)24(25,15-14-19-8-4-2-5-9-19)23(27)26(22)17-20-10-6-3-7-11-20/h2-13,16H,17,25H2,1H3/t24-/m1/s1
InChIKeyYGGBLFKUBSWJTL-XMMPIXPASA-N
XLogP3.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-chloro-3-hydroxy-3-[2-(4-methylphenyl)ethynyl]indol-2-one
CID 102365931
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
CID 132544016
CID 132544016
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
CID 132571208
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
CID 122213350
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
3-[3-(3-aminophenyl)prop-2-ynyl]-1-benzyl-3-methylindol-2-one
CID 132565539
3-acetyl-1,3-dibenzyl-5-methoxyindol-2-one
CID 11014506
benzyl N-[(3R)-1-benzyl-2-oxo-3-(2-phenylethynyl)indol-3-yl]carbamate
CID 102359583
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one?
The IUPAC name of (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one (CID 57379529) is (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one.
What is the SMILES notation for (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one?
The canonical SMILES for (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one is Cc1ccc2c(c1)[C@](N)(C#Cc1ccccc1)C(=O)N2Cc1ccccc1.
What is the InChIKey of (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one?
The InChIKey is YGGBLFKUBSWJTL-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20N2O/c1-18-12-13-22-21(16-18)24(25,15-14-19-8-4-2-5-9-19)23(27)26(22)17-20-10-6-3-7-11-20/h2-13,16H,17,25H2,1H3/t24-/m1/s1.
What are the key properties of (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one?
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one has a molecular weight of 352.44 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one is sourced from PubChem (CID 57379529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).