2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide

C18H22N2O2 — CID 126795442

IUPAC2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
SMILESCCOC1CC(CC(=O)NCc2nccc3ccccc23)C1
InChIInChI=1S/C18H22N2O2/c1-2-22-15-9-13(10-15)11-18(21)20-12-17-16-6-4-3-5-14(16)7-8-19-17/h3-8,13,15H,2,9-12H2,1H3,(H,20,21)
InChIKeyUFXMELYXWOQMMR-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.06
Rot. Bonds6

About 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide

2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide (PubChem CID 126795442) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
PubChem CID126795442
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
SMILESCCOC1CC(CC(=O)NCc2nccc3ccccc23)C1
InChIInChI=1S/C18H22N2O2/c1-2-22-15-9-13(10-15)11-18(21)20-12-17-16-6-4-3-5-14(16)7-8-19-17/h3-8,13,15H,2,9-12H2,1H3,(H,20,21)
InChIKeyUFXMELYXWOQMMR-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-1-ylmethyl)acetamide
CID 20717922
N-[[3-(chloromethyl)phenyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166726
2-(3-ethoxycyclobutyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 103164811
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720
N-(4-chloropyrimidin-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 114052575
3-amino-N-(isoquinolin-1-ylmethyl)butanamide;dihydrochloride
CID 119839728
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
CID 103161966
isoquinolin-1-ylmethanamine;N-(isoquinolin-1-ylmethyl)acetamide
CID 161469178
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
2-(3-ethoxycyclobutyl)-N-(2-iodophenyl)acetamide
CID 103163808
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide (CID 126795442) is 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide is CCOC1CC(CC(=O)NCc2nccc3ccccc23)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide?
The InChIKey is UFXMELYXWOQMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-22-15-9-13(10-15)11-18(21)20-12-17-16-6-4-3-5-14(16)7-8-19-17/h3-8,13,15H,2,9-12H2,1H3,(H,20,21).
What are the key properties of 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide?
2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide is sourced from PubChem (CID 126795442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).