3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one

C19H21NO — CID 43912610

IUPAC3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c(CC2C(=O)Nc3c(C)cc(C)cc32)c1
InChIInChI=1S/C19H21NO/c1-11-5-6-13(3)15(8-11)10-17-16-9-12(2)7-14(4)18(16)20-19(17)21/h5-9,17H,10H2,1-4H3,(H,20,21)
InChIKeyAHEBZAYDVDOCHK-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.20
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one

3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 43912610) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID43912610
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one
SMILESCc1ccc(C)c(CC2C(=O)Nc3c(C)cc(C)cc32)c1
InChIInChI=1S/C19H21NO/c1-11-5-6-13(3)15(8-11)10-17-16-9-12(2)7-14(4)18(16)20-19(17)21/h5-9,17H,10H2,1-4H3,(H,20,21)
InChIKeyAHEBZAYDVDOCHK-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one (CID 43912610) is 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one is Cc1ccc(C)c(CC2C(=O)Nc3c(C)cc(C)cc32)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is AHEBZAYDVDOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-11-5-6-13(3)15(8-11)10-17-16-9-12(2)7-14(4)18(16)20-19(17)21/h5-9,17H,10H2,1-4H3,(H,20,21).
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one?
3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 279.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 43912610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).