N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

C13H16N2O2 — CID 10082667

IUPACN-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(C(C)=O)C2
InChIInChI=1S/C13H16N2O2/c1-9(16)14-13-5-3-4-11-8-15(10(2)17)7-6-12(11)13/h3-5H,6-8H2,1-2H3,(H,14,16)
InChIKeyZPEDXDAVJFVXOZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.55
Rot. Bonds1

About N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide

N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide (PubChem CID 10082667) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
PubChem CID10082667
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1CCN(C(C)=O)C2
InChIInChI=1S/C13H16N2O2/c1-9(16)14-13-5-3-4-11-8-15(10(2)17)7-6-12(11)13/h3-5H,6-8H2,1-2H3,(H,14,16)
InChIKeyZPEDXDAVJFVXOZ-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-methylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146085199
5-acetamido-N-(3,3-dimethylbutyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47065776
N-[2-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 48692221
5-acetamido-N-(cyclopentylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47065964
5-acetamido-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 167870403
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-8-yl)prop-2-enamide
CID 143049262
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-8-yl)prop-2-enamide;molecular hydrogen
CID 143049261
N-(2-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 47293347
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-[2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 166232149
1-[2-[(2S)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-(2-fluorophenyl)urea
CID 119321626
N-[2-[2-(2-hydroxyethoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 111439571

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The IUPAC name of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide (CID 10082667) is N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide.
What is the SMILES notation for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The canonical SMILES for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide is CC(=O)Nc1cccc2c1CCN(C(C)=O)C2.
What is the InChIKey of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
The InChIKey is ZPEDXDAVJFVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)14-13-5-3-4-11-8-15(10(2)17)7-6-12(11)13/h3-5H,6-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide?
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide is sourced from PubChem (CID 10082667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).