1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one

C25H23NO3 — CID 15991227

IUPAC1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1
InChIInChI=1S/C25H23NO3/c1-17-12-13-20(18(2)14-17)23(27)15-25(29)21-10-6-7-11-22(21)26(24(25)28)16-19-8-4-3-5-9-19/h3-14,29H,15-16H2,1-2H3
InChIKeyDAQQQQXAELQBPZ-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.31
Rot. Bonds5

About 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one

1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one (PubChem CID 15991227) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
PubChem CID15991227
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1
InChIInChI=1S/C25H23NO3/c1-17-12-13-20(18(2)14-17)23(27)15-25(29)21-10-6-7-11-22(21)26(24(25)28)16-19-8-4-3-5-9-19/h3-14,29H,15-16H2,1-2H3
InChIKeyDAQQQQXAELQBPZ-UHFFFAOYSA-N
XLogP4.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The IUPAC name of 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one (CID 15991227) is 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The canonical SMILES for 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)c(C)c1.
What is the InChIKey of 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
The InChIKey is DAQQQQXAELQBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-17-12-13-20(18(2)14-17)23(27)15-25(29)21-10-6-7-11-22(21)26(24(25)28)16-19-8-4-3-5-9-19/h3-14,29H,15-16H2,1-2H3.
What are the key properties of 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one?
1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one has a molecular weight of 385.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one is sourced from PubChem (CID 15991227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).