3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one

C20H21NO3 — CID 645159

IUPAC3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-4-21-17-8-6-5-7-16(17)20(24,19(21)23)12-18(22)15-11-13(2)9-10-14(15)3/h5-11,24H,4,12H2,1-3H3
InChIKeyFBJKZJDBOXTKKM-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.13
Rot. Bonds4

About 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one

3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (PubChem CID 645159) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.

Molecular Properties

Compound Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
PubChem CID645159
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
SMILESCCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C20H21NO3/c1-4-21-17-8-6-5-7-16(17)20(24,19(21)23)12-18(22)15-11-13(2)9-10-14(15)3/h5-11,24H,4,12H2,1-3H3
InChIKeyFBJKZJDBOXTKKM-UHFFFAOYSA-N
XLogP3.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The IUPAC name of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one (CID 645159) is 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one.
What is the SMILES notation for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The canonical SMILES for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is CCN1C(=O)C(O)(CC(=O)c2cc(C)ccc2C)c2ccccc21.
What is the InChIKey of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
The InChIKey is FBJKZJDBOXTKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-21-17-8-6-5-7-16(17)20(24,19(21)23)12-18(22)15-11-13(2)9-10-14(15)3/h5-11,24H,4,12H2,1-3H3.
What are the key properties of 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one?
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one is sourced from PubChem (CID 645159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).