2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide

C15H24N2O4 — CID 91909508

IUPAC2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
SMILESCOCCOCC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C15H24N2O4/c1-20-8-9-21-10-14(19)16-11-15-6-3-2-4-12(15)17-13(18)5-7-15/h4H,2-3,5-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyMSLPHYVQTIZLOZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.73
Rot. Bonds7

About 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide

2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide (PubChem CID 91909508) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
PubChem CID91909508
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
SMILESCOCCOCC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C15H24N2O4/c1-20-8-9-21-10-14(19)16-11-15-6-3-2-4-12(15)17-13(18)5-7-15/h4H,2-3,5-11H2,1H3,(H,16,19)(H,17,18)
InChIKeyMSLPHYVQTIZLOZ-UHFFFAOYSA-N
XLogP0.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722075
N-[2-(cyclopenten-1-yl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103842228
N-[(1-methoxycyclobutyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 103993337
1-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81361985
N-[(1-aminocyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119404560
2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide
CID 110196558
2-(2-phenoxyethoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 55759227
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 65123962
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
2-methoxy-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737380
2-methoxy-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822122

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide (CID 91909508) is 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide is COCCOCC(=O)NCC12CCCC=C1NC(=O)CC2.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
The InChIKey is MSLPHYVQTIZLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-20-8-9-21-10-14(19)16-11-15-6-3-2-4-12(15)17-13(18)5-7-15/h4H,2-3,5-11H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide is sourced from PubChem (CID 91909508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).