7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one

C20H24N2O — CID 82172695

IUPAC7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(C(N)c2ccccc2C)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C20H24N2O/c1-5-13-10-15(17(21)14-9-7-6-8-12(14)2)18-16(11-13)20(3,4)19(23)22-18/h6-11,17H,5,21H2,1-4H3,(H,22,23)
InChIKeyROSPYJXKTRAUOG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.84
Rot. Bonds3

About 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one

7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one (PubChem CID 82172695) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one
PubChem CID82172695
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one
SMILESCCc1cc(C(N)c2ccccc2C)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C20H24N2O/c1-5-13-10-15(17(21)14-9-7-6-8-12(14)2)18-16(11-13)20(3,4)19(23)22-18/h6-11,17H,5,21H2,1-4H3,(H,22,23)
InChIKeyROSPYJXKTRAUOG-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
5-(1-amino-2-methylpropyl)-3,3,6,7-tetramethyl-1H-indol-2-one
CID 82173152
5-(1-amino-2-phenylethyl)-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 82173640
7-(2-amino-1,3-thiazol-4-yl)-5-ethyl-3,3-dimethyl-1H-indol-2-one
CID 82104896
5-(1-hydroxyethyl)-3,3,7-trimethyl-1H-indol-2-one
CID 82172867
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
5-fluoro-7-[hydroxy(phenyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 82173331
5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173602
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one
CID 82173770
7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one
CID 82190724
5-(1-aminopropyl)-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 82173628

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one (CID 82172695) is 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one is CCc1cc(C(N)c2ccccc2C)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ROSPYJXKTRAUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-5-13-10-15(17(21)14-9-7-6-8-12(14)2)18-16(11-13)20(3,4)19(23)22-18/h6-11,17H,5,21H2,1-4H3,(H,22,23).
What are the key properties of 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one?
7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one has a molecular weight of 308.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(2-methylphenyl)methyl]-5-ethyl-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82172695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).