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

C19H30N2O2 — CID 90640940

IUPACN-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCCCCCCCCNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C19H30N2O2/c1-2-3-4-5-6-9-13-21-19(22)15-23-18-12-14-20-17-11-8-7-10-16(17)18/h12,14H,2-11,13,15H2,1H3,(H,21,22)
InChIKeyGDAFKHYZIKEXIZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.82
Rot. Bonds10

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

N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640940) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640940
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCCCCCCCCNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C19H30N2O2/c1-2-3-4-5-6-9-13-21-19(22)15-23-18-12-14-20-17-11-8-7-10-16(17)18/h12,14H,2-11,13,15H2,1H3,(H,21,22)
InChIKeyGDAFKHYZIKEXIZ-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640746
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640769
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641018
N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640789
N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641083
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-(4-bromo-2,5-dimethylphenoxy)-N-heptylacetamide
CID 3901238
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-[[2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]oxy]-N-pentylacetamide;molecular hydrogen
CID 142549473

Frequently Asked Questions

What is the IUPAC name of N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640940) is N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is CCCCCCCCNC(=O)COc1ccnc2c1CCCC2.
What is the InChIKey of N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is GDAFKHYZIKEXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-3-4-5-6-9-13-21-19(22)15-23-18-12-14-20-17-11-8-7-10-16(17)18/h12,14H,2-11,13,15H2,1H3,(H,21,22).
What are the key properties of N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).