N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C20H25N3O4 — CID 90641083

IUPACN-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCOCCOc1ncccc1CNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C20H25N3O4/c1-25-11-12-26-20-15(5-4-9-22-20)13-23-19(24)14-27-18-8-10-21-17-7-3-2-6-16(17)18/h4-5,8-10H,2-3,6-7,11-14H2,1H3,(H,23,24)
InChIKeyZOMPOPCKRDRPBM-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.08
Rot. Bonds9

About N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90641083) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90641083
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESCOCCOc1ncccc1CNC(=O)COc1ccnc2c1CCCC2
InChIInChI=1S/C20H25N3O4/c1-25-11-12-26-20-15(5-4-9-22-20)13-23-19(24)14-27-18-8-10-21-17-7-3-2-6-16(17)18/h4-5,8-10H,2-3,6-7,11-14H2,1H3,(H,23,24)
InChIKeyZOMPOPCKRDRPBM-UHFFFAOYSA-N
XLogP2.08
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640789
N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641029
N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640940
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641076
N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289999
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442956
2-(4-butylphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37485449
N-[(2-butoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52760208
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100721805
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111577205

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90641083) is N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is COCCOc1ncccc1CNC(=O)COc1ccnc2c1CCCC2.
What is the InChIKey of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is ZOMPOPCKRDRPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-11-12-26-20-15(5-4-9-22-20)13-23-19(24)14-27-18-8-10-21-17-7-3-2-6-16(17)18/h4-5,8-10H,2-3,6-7,11-14H2,1H3,(H,23,24).
What are the key properties of N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90641083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).