2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide

C15H21N3O3 — CID 81301637

IUPAC2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H21N3O3/c1-5-18(9-13(19)16(2)3)10-6-7-11-12(8-10)17(4)15(21)14(11)20/h6-8,14,20H,5,9H2,1-4H3
InChIKeyQQIRDVPWSHRKMK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.61
Rot. Bonds4

About 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide

2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide (PubChem CID 81301637) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide
PubChem CID81301637
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc2c(c1)N(C)C(=O)C2O
InChIInChI=1S/C15H21N3O3/c1-5-18(9-13(19)16(2)3)10-6-7-11-12(8-10)17(4)15(21)14(11)20/h6-8,14,20H,5,9H2,1-4H3
InChIKeyQQIRDVPWSHRKMK-UHFFFAOYSA-N
XLogP0.61
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide 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-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide (CID 81301637) is 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccc2c(c1)N(C)C(=O)C2O.
What is the InChIKey of 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide?
The InChIKey is QQIRDVPWSHRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-5-18(9-13(19)16(2)3)10-6-7-11-12(8-10)17(4)15(21)14(11)20/h6-8,14,20H,5,9H2,1-4H3.
What are the key properties of 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide?
2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide has a molecular weight of 291.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 81301637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).