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

C19H28N2O3 — CID 110002716

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)CC1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C19H28N2O3/c1-4-19(3,10-12-22)20-18(24)13-17-16-8-6-5-7-15(16)9-11-21(17)14(2)23/h5-8,17,22H,4,9-13H2,1-3H3,(H,20,24)
InChIKeyGRZHMUKIFQKXOQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.19
Rot. Bonds6

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

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (PubChem CID 110002716) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
PubChem CID110002716
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
SMILESCCC(C)(CCO)NC(=O)CC1c2ccccc2CCN1C(C)=O
InChIInChI=1S/C19H28N2O3/c1-4-19(3,10-12-22)20-18(24)13-17-16-8-6-5-7-15(16)9-11-21(17)14(2)23/h5-8,17,22H,4,9-13H2,1-3H3,(H,20,24)
InChIKeyGRZHMUKIFQKXOQ-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-propylacetamide
CID 134044590
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-[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-(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-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 78817959
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120832144
2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 95230355
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 55878621
N-[4-[[2-[(1S)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]acetyl]amino]phenyl]azepane-1-carboxamide
CID 95594247

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide (CID 110002716) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is CCC(C)(CCO)NC(=O)CC1c2ccccc2CCN1C(C)=O.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
The InChIKey is GRZHMUKIFQKXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-19(3,10-12-22)20-18(24)13-17-16-8-6-5-7-15(16)9-11-21(17)14(2)23/h5-8,17,22H,4,9-13H2,1-3H3,(H,20,24).
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide is sourced from PubChem (CID 110002716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).