N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

C18H20N2O2 — CID 112509722

IUPACN-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2NCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-22-15-8-6-14(7-9-15)20-18(21)12-17-16-5-3-2-4-13(16)10-11-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)
InChIKeyIZHCGOFZGYUMKY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.91
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (PubChem CID 112509722) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
PubChem CID112509722
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CC2NCCc3ccccc32)cc1
InChIInChI=1S/C18H20N2O2/c1-22-15-8-6-14(7-9-15)20-18(21)12-17-16-5-3-2-4-13(16)10-11-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)
InChIKeyIZHCGOFZGYUMKY-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509751
N-(1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 112509749
bis[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 2487797
N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 5100540
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 82086263
2-(4-benzyl-3-oxopiperazin-2-yl)-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 110283203
(4-methoxyphenyl) 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 141338899
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
bicyclo[4.1.0]hepta-1,3,5-triene;2-hydroxy-N-(4-methoxyphenyl)acetamide
CID 67711716
2,3-dihydro-1H-inden-1-yl N-(4-methoxyphenyl)carbamate
CID 102129679
N-[(2R)-1-[4-[(1-acetylpiperidin-4-yl)-(2-methylpropyl)amino]piperidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-2-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetamide
CID 68564894

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (CID 112509722) is N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is COc1ccc(NC(=O)CC2NCCc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
The InChIKey is IZHCGOFZGYUMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-15-8-6-14(7-9-15)20-18(21)12-17-16-5-3-2-4-13(16)10-11-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 112509722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).