2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide

C23H22N2O4 — CID 2152016

IUPAC2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)NCc1ccco1
InChIInChI=1S/C23H22N2O4/c26-22(24-14-18-8-5-13-28-18)16-29-21-10-4-9-20-19(21)11-12-25(23(20)27)15-17-6-2-1-3-7-17/h1-10,13H,11-12,14-16H2,(H,24,26)
InChIKeyXDXCOAOQOLLTPL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.17
Rot. Bonds7

About 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide

2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide (PubChem CID 2152016) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
PubChem CID2152016
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)NCc1ccco1
InChIInChI=1S/C23H22N2O4/c26-22(24-14-18-8-5-13-28-18)16-29-21-10-4-9-20-19(21)11-12-25(23(20)27)15-17-6-2-1-3-7-17/h1-10,13H,11-12,14-16H2,(H,24,26)
InChIKeyXDXCOAOQOLLTPL-UHFFFAOYSA-N
XLogP3.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(4-bromophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(furan-2-ylmethyl)acetamide
CID 2151909
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 2151971
2-[[2-(2-benzylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 18118989
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82810339
2-[[2-[(4-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]-N-(3-methylphenyl)acetamide
CID 2152117
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 2152171
2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 9081252
N-(1,3-benzothiazol-2-yl)-2-[[2-[(3-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetamide
CID 4245348
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329386
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152198
N-(furan-2-ylmethyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178353

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide (CID 2152016) is 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide is O=C(COc1cccc2c1CCN(Cc1ccccc1)C2=O)NCc1ccco1.
What is the InChIKey of 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XDXCOAOQOLLTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(24-14-18-8-5-13-28-18)16-29-21-10-4-9-20-19(21)11-12-25(23(20)27)15-17-6-2-1-3-7-17/h1-10,13H,11-12,14-16H2,(H,24,26).
What are the key properties of 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide?
2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 2152016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).