3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one

C14H20N2O2 — CID 114990109

IUPAC3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one
SMILESCCNC1C(=O)N(CCO)c2c(C)ccc(C)c21
InChIInChI=1S/C14H20N2O2/c1-4-15-12-11-9(2)5-6-10(3)13(11)16(7-8-17)14(12)18/h5-6,12,15,17H,4,7-8H2,1-3H3
InChIKeyBYTHKZMUIPHOBD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.29
Rot. Bonds4

About 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one

3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one (PubChem CID 114990109) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one
PubChem CID114990109
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one
SMILESCCNC1C(=O)N(CCO)c2c(C)ccc(C)c21
InChIInChI=1S/C14H20N2O2/c1-4-15-12-11-9(2)5-6-10(3)13(11)16(7-8-17)14(12)18/h5-6,12,15,17H,4,7-8H2,1-3H3
InChIKeyBYTHKZMUIPHOBD-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one?
The IUPAC name of 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one (CID 114990109) is 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one.
What is the SMILES notation for 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one?
The canonical SMILES for 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one is CCNC1C(=O)N(CCO)c2c(C)ccc(C)c21.
What is the InChIKey of 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one?
The InChIKey is BYTHKZMUIPHOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-15-12-11-9(2)5-6-10(3)13(11)16(7-8-17)14(12)18/h5-6,12,15,17H,4,7-8H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one?
3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(2-hydroxyethyl)-4,7-dimethyl-3H-indol-2-one is sourced from PubChem (CID 114990109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).