2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

C22H24N2O2 — CID 97309302

IUPAC2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C22H24N2O2/c1-15(25)24-13-12-17-7-3-5-9-19(17)21(24)14-22(26)23-20-11-10-16-6-2-4-8-18(16)20/h2-9,20-21H,10-14H2,1H3,(H,23,26)/t20-,21+/m0/s1
InChIKeyFXNYGRJPSKAJFH-LEWJYISDSA-N
MW348.45 g/mol
LogP3.33
Rot. Bonds3

About 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide

2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 97309302) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID97309302
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C22H24N2O2/c1-15(25)24-13-12-17-7-3-5-9-19(17)21(24)14-22(26)23-20-11-10-16-6-2-4-8-18(16)20/h2-9,20-21H,10-14H2,1H3,(H,23,26)/t20-,21+/m0/s1
InChIKeyFXNYGRJPSKAJFH-LEWJYISDSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.33
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-1H-isoquinolin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 42924303
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-[4-(cyclopropylcarbamoylamino)phenyl]acetamide
CID 55531968
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-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120832144
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(5-cyclopropyl-1H-imidazol-2-yl)acetamide
CID 167867059
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 134044511
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134044469
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943234
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55450880
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 110002716

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 97309302) is 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is FXNYGRJPSKAJFH-LEWJYISDSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(25)24-13-12-17-7-3-5-9-19(17)21(24)14-22(26)23-20-11-10-16-6-2-4-8-18(16)20/h2-9,20-21H,10-14H2,1H3,(H,23,26)/t20-,21+/m0/s1.
What are the key properties of 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 97309302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).