3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one

C17H18N2O — CID 43254834

IUPAC3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc2c(c1)C(N)C(=O)N2Cc1ccccc1C
InChIInChI=1S/C17H18N2O/c1-11-7-8-15-14(9-11)16(18)17(20)19(15)10-13-6-4-3-5-12(13)2/h3-9,16H,10,18H2,1-2H3
InChIKeyDRGAMRZFVGZKQY-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.85
Rot. Bonds2

About 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one

3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one (PubChem CID 43254834) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
PubChem CID43254834
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one
SMILESCc1ccc2c(c1)C(N)C(=O)N2Cc1ccccc1C
InChIInChI=1S/C17H18N2O/c1-11-7-8-15-14(9-11)16(18)17(20)19(15)10-13-6-4-3-5-12(13)2/h3-9,16H,10,18H2,1-2H3
InChIKeyDRGAMRZFVGZKQY-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-1-[(4-fluorophenyl)methyl]-5-methyl-3H-indol-2-one
CID 99644340
3-amino-1-[(4-methoxyphenyl)methyl]-5-methyl-3H-indol-2-one
CID 43254825
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
CID 43254818
3-amino-5-chloro-1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 43254913
3-amino-1-(cyclopentylmethyl)-5-methyl-3H-indol-2-one
CID 114994368
3-amino-1-[(E)-2-ethenylbut-2-enyl]-5-methyl-3H-indol-2-one
CID 76853938
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
CID 43254791
6-amino-1-[(2-methylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 43446579
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280
3-amino-5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255070
2-(3-amino-5-methyl-2-oxo-3H-indol-1-yl)-N-(2-cyanoethyl)acetamide
CID 43254827
1,3-dibenzyl-3-deuterio-5-methylindol-2-one
CID 10980376

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one (CID 43254834) is 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one is Cc1ccc2c(c1)C(N)C(=O)N2Cc1ccccc1C.
What is the InChIKey of 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one?
The InChIKey is DRGAMRZFVGZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-7-8-15-14(9-11)16(18)17(20)19(15)10-13-6-4-3-5-12(13)2/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one?
3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1-[(2-methylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 43254834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).