N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide

C19H20N2O3 — CID 7697869

IUPACN-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H20N2O3/c1-14(22)20-17-7-4-8-18(11-17)24-13-19(23)21-10-9-15-5-2-3-6-16(15)12-21/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyJOCNSYVJBKAHPK-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.61
Rot. Bonds4

About N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide

N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide (PubChem CID 7697869) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide
PubChem CID7697869
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C19H20N2O3/c1-14(22)20-17-7-4-8-18(11-17)24-13-19(23)21-10-9-15-5-2-3-6-16(15)12-21/h2-8,11H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyJOCNSYVJBKAHPK-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
2-(3-tert-butylphenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 112977567
N-(3-acetamidophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108948166
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108948151
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 2495335
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 24605928
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111811097
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 25250347
N-[3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7697850
N-[3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616045
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-hydroxypropan-2-yl)phenoxy]ethanone
CID 110006176
methyl 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzoate
CID 7894206

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide (CID 7697869) is N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide?
The InChIKey is JOCNSYVJBKAHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(22)20-17-7-4-8-18(11-17)24-13-19(23)21-10-9-15-5-2-3-6-16(15)12-21/h2-8,11H,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide?
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 7697869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).