N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide

C15H19N3O2 — CID 61027699

IUPACN-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
SMILESCN(CCC#N)C(=O)COc1cccc2c1NCCC2
InChIInChI=1S/C15H19N3O2/c1-18(10-4-8-16)14(19)11-20-13-7-2-5-12-6-3-9-17-15(12)13/h2,5,7,17H,3-4,6,9-11H2,1H3
InChIKeyMYCQLQPCZUNIIE-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.80
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide

N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide (PubChem CID 61027699) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
PubChem CID61027699
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
SMILESCN(CCC#N)C(=O)COc1cccc2c1NCCC2
InChIInChI=1S/C15H19N3O2/c1-18(10-4-8-16)14(19)11-20-13-7-2-5-12-6-3-9-17-15(12)13/h2,5,7,17H,3-4,6,9-11H2,1H3
InChIKeyMYCQLQPCZUNIIE-UHFFFAOYSA-N
XLogP1.80
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380366
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
N-pentan-2-yl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide
CID 61026655
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 60645400
2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 43243799
2-fluoro-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)benzonitrile
CID 61026238
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
CID 63901925
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 60645385
methyl 3-[4-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)phenyl]propanoate
CID 59368851

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide (CID 61027699) is N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide is CN(CCC#N)C(=O)COc1cccc2c1NCCC2.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
The InChIKey is MYCQLQPCZUNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(10-4-8-16)14(19)11-20-13-7-2-5-12-6-3-9-17-15(12)13/h2,5,7,17H,3-4,6,9-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)acetamide is sourced from PubChem (CID 61027699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).