2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide

C13H19N3O — CID 103102716

IUPAC2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1cccc2c1NCCC2
InChIInChI=1S/C13H19N3O/c1-2-16(9-12(14)17)11-7-3-5-10-6-4-8-15-13(10)11/h3,5,7,15H,2,4,6,8-9H2,1H3,(H2,14,17)
InChIKeyBZOWBUPHHLHXMV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.36
Rot. Bonds4

About 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide

2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide (PubChem CID 103102716) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide
PubChem CID103102716
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1cccc2c1NCCC2
InChIInChI=1S/C13H19N3O/c1-2-16(9-12(14)17)11-7-3-5-10-6-4-8-15-13(10)11/h3,5,7,15H,2,4,6,8-9H2,1H3,(H2,14,17)
InChIKeyBZOWBUPHHLHXMV-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide?
The IUPAC name of 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide (CID 103102716) is 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide is CCN(CC(N)=O)c1cccc2c1NCCC2.
What is the InChIKey of 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide?
The InChIKey is BZOWBUPHHLHXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16(9-12(14)17)11-7-3-5-10-6-4-8-15-13(10)11/h3,5,7,15H,2,4,6,8-9H2,1H3,(H2,14,17).
What are the key properties of 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide?
2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,2,3,4-tetrahydroquinolin-8-yl)amino]acetamide is sourced from PubChem (CID 103102716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).