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

C20H24N2O — CID 82172665

IUPAC7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
SMILESCCc1cc2c(c(C(N)c3cccc(C)c3)c1)NC(=O)C2CC
InChIInChI=1S/C20H24N2O/c1-4-13-10-16-15(5-2)20(23)22-19(16)17(11-13)18(21)14-8-6-7-12(3)9-14/h6-11,15,18H,4-5,21H2,1-3H3,(H,22,23)
InChIKeyZNIHAWJYGBOEIV-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.05
Rot. Bonds4

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

7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one (PubChem CID 82172665) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
PubChem CID82172665
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
SMILESCCc1cc2c(c(C(N)c3cccc(C)c3)c1)NC(=O)C2CC
InChIInChI=1S/C20H24N2O/c1-4-13-10-16-15(5-2)20(23)22-19(16)17(11-13)18(21)14-8-6-7-12(3)9-14/h6-11,15,18H,4-5,21H2,1-3H3,(H,22,23)
InChIKeyZNIHAWJYGBOEIV-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-[amino-(4-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172666
5-[amino-(3-methylphenyl)methyl]-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173129
7-[amino-(2-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one
CID 82172664
7-[amino(phenyl)methyl]-5-chloro-3-ethyl-1,3-dihydroindol-2-one
CID 82173429
7-[amino(phenyl)methyl]-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82173281
7-[amino-(3-methylphenyl)methyl]-5-fluoro-3-methyl-1,3-dihydroindol-2-one
CID 82173237
3,5-diethyl-7-(1-hydroxybutyl)-1,3-dihydroindol-2-one
CID 82172672
5-(2-aminopropyl)-3-ethyl-7-methyl-1,3-dihydroindol-2-one
CID 82190504
5-[amino-(2-methylphenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173602
5-(1-aminoethyl)-3-ethyl-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173119
5-[amino(phenyl)methyl]-3-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 82173601
5-(1-amino-2-methylpropyl)-3,7-diethyl-1,3-dihydroindol-2-one
CID 82172974

Frequently Asked Questions

What is the IUPAC name of 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one (CID 82172665) is 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one is CCc1cc2c(c(C(N)c3cccc(C)c3)c1)NC(=O)C2CC.
What is the InChIKey of 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one?
The InChIKey is ZNIHAWJYGBOEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-13-10-16-15(5-2)20(23)22-19(16)17(11-13)18(21)14-8-6-7-12(3)9-14/h6-11,15,18H,4-5,21H2,1-3H3,(H,22,23).
What are the key properties of 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one?
7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one has a molecular weight of 308.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino-(3-methylphenyl)methyl]-3,5-diethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82172665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).