N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C15H22N2O2 — CID 90640746

IUPACN-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCCCCNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C15H22N2O2/c1-2-3-9-17-15(18)11-19-14-8-10-16-13-7-5-4-6-12(13)14/h8,10H,2-7,9,11H2,1H3,(H,17,18)
InChIKeyOZYZTPMFYVRPGF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.26
Rot. Bonds6

About N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640746) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640746
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCCCCNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C15H22N2O2/c1-2-3-9-17-15(18)11-19-14-8-10-16-13-7-5-4-6-12(13)14/h8,10H,2-7,9,11H2,1H3,(H,17,18)
InChIKeyOZYZTPMFYVRPGF-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide 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 N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640746) is N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is CCCCNC(=O)COc1ccnc2c1CCCC2.
What is the InChIKey of N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is OZYZTPMFYVRPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-9-17-15(18)11-19-14-8-10-16-13-7-5-4-6-12(13)14/h8,10H,2-7,9,11H2,1H3,(H,17,18).
What are the key properties of N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).