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

C16H22N2O2 — CID 134044590

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C16H22N2O2/c1-3-9-17-16(20)11-15-14-7-5-4-6-13(14)8-10-18(15)12(2)19/h4-7,15H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyQOGYCTOQKXVTMK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds4

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

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide (PubChem CID 134044590) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
PubChem CID134044590
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CC1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C16H22N2O2/c1-3-9-17-16(20)11-15-14-7-5-4-6-13(14)8-10-18(15)12(2)19/h4-7,15H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyQOGYCTOQKXVTMK-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
CID 134049116
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120832144
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943234
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97309302
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 86909386
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 55878621
2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 97311343
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 55428258
2-[[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]amino]benzamide
CID 134049123
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002716
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55519086
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134044469

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide (CID 134044590) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide is CCCNC(=O)CC1c2ccccc2CCN1C(C)=O.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide?
The InChIKey is QOGYCTOQKXVTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-17-16(20)11-15-14-7-5-4-6-13(14)8-10-18(15)12(2)19/h4-7,15H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-propylacetamide is sourced from PubChem (CID 134044590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).