5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one

C20H24N2O — CID 82173129

IUPAC5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(N)c1cccc(C)c1)c(C)c2C
InChIInChI=1S/C20H24N2O/c1-5-15-17-10-16(12(3)13(4)19(17)22-20(15)23)18(21)14-8-6-7-11(2)9-14/h6-10,15,18H,5,21H2,1-4H3,(H,22,23)
InChIKeyZJOVBHFLBWVDHQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.11
Rot. Bonds3

About 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one

5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173129) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173129
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(N)c1cccc(C)c1)c(C)c2C
InChIInChI=1S/C20H24N2O/c1-5-15-17-10-16(12(3)13(4)19(17)22-20(15)23)18(21)14-8-6-7-11(2)9-14/h6-10,15,18H,5,21H2,1-4H3,(H,22,23)
InChIKeyZJOVBHFLBWVDHQ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172665
5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173119
7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
3-ethyl-5-(1-hydroxy-2-methylpropyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173135
7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173602
5-(1-amino-2-methylpropyl)-6-chloro-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82173846
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173237
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
3-[amino-(3-methylphenyl)methyl]-6-methyl-1H-quinolin-2-one
CID 22299740
6-chloro-3-ethyl-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173855

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one (CID 82173129) is 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(C(N)c1cccc(C)c1)c(C)c2C.
What is the InChIKey of 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is ZJOVBHFLBWVDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-5-15-17-10-16(12(3)13(4)19(17)22-20(15)23)18(21)14-8-6-7-11(2)9-14/h6-10,15,18H,5,21H2,1-4H3,(H,22,23).
What are the key properties of 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one?
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 308.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).