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

C15H20N2O2 — CID 134049116

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C15H20N2O2/c1-3-16-15(19)10-14-13-7-5-4-6-12(13)8-9-17(14)11(2)18/h4-7,14H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyNKVYOOOJAKSXIF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds3

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

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide (PubChem CID 134049116) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
PubChem CID134049116
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C15H20N2O2/c1-3-16-15(19)10-14-13-7-5-4-6-12(13)8-9-17(14)11(2)18/h4-7,14H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyNKVYOOOJAKSXIF-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
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-propylacetamide
CID 134044590
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-(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-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-(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-ethylacetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide (CID 134049116) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide is CCNC(=O)CC1c2ccccc2CCN1C(C)=O.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide?
The InChIKey is NKVYOOOJAKSXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-16-15(19)10-14-13-7-5-4-6-12(13)8-9-17(14)11(2)18/h4-7,14H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-ethylacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.66, 3 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-ethylacetamide is sourced from PubChem (CID 134049116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).