2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

C13H17N3O2 — CID 114989561

IUPAC2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
SMILESCCc1ccc2c(c1)C(NC(C)C(N)=O)C(=O)N2
InChIInChI=1S/C13H17N3O2/c1-3-8-4-5-10-9(6-8)11(13(18)16-10)15-7(2)12(14)17/h4-7,11,15H,3H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyQHOWMGJTLAKAHI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.71
Rot. Bonds4

About 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide

2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide (PubChem CID 114989561) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
PubChem CID114989561
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
SMILESCCc1ccc2c(c1)C(NC(C)C(N)=O)C(=O)N2
InChIInChI=1S/C13H17N3O2/c1-3-8-4-5-10-9(6-8)11(13(18)16-10)15-7(2)12(14)17/h4-7,11,15H,3H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyQHOWMGJTLAKAHI-UHFFFAOYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide 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 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
The IUPAC name of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide (CID 114989561) is 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide.
What is the SMILES notation for 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
The canonical SMILES for 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide is CCc1ccc2c(c1)C(NC(C)C(N)=O)C(=O)N2.
What is the InChIKey of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
The InChIKey is QHOWMGJTLAKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8-4-5-10-9(6-8)11(13(18)16-10)15-7(2)12(14)17/h4-7,11,15H,3H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide?
2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide is sourced from PubChem (CID 114989561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).