3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one

C20H23NO2 — CID 102199441

IUPAC3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one
SMILESCCOC(C)CC1(c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-4-23-15(2)14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(3)19(20)22/h5-13,15H,4,14H2,1-3H3
InChIKeyPJSHQVNFVDZDMC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.76
Rot. Bonds5

About 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one

3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one (PubChem CID 102199441) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one.

Molecular Properties

Compound Name3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one
PubChem CID102199441
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one
SMILESCCOC(C)CC1(c2ccccc2)C(=O)N(C)c2ccccc21
InChIInChI=1S/C20H23NO2/c1-4-23-15(2)14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(3)19(20)22/h5-13,15H,4,14H2,1-3H3
InChIKeyPJSHQVNFVDZDMC-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one?
The IUPAC name of 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one (CID 102199441) is 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one.
What is the SMILES notation for 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one?
The canonical SMILES for 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one is CCOC(C)CC1(c2ccccc2)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one?
The InChIKey is PJSHQVNFVDZDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-23-15(2)14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(3)19(20)22/h5-13,15H,4,14H2,1-3H3.
What are the key properties of 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one?
3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropyl)-1-methyl-3-phenylindol-2-one is sourced from PubChem (CID 102199441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).