2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C19H26N2O3 — CID 111596114

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CC1c2ccccc2C=CN1C(C)=O
InChIInChI=1S/C19H26N2O3/c1-5-20(13-19(3,4)24)18(23)12-17-16-9-7-6-8-15(16)10-11-21(17)14(2)22/h6-11,17,24H,5,12-13H2,1-4H3
InChIKeyGRLZUDATZFYARX-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.57
Rot. Bonds5

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 111596114) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID111596114
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CC1c2ccccc2C=CN1C(C)=O
InChIInChI=1S/C19H26N2O3/c1-5-20(13-19(3,4)24)18(23)12-17-16-9-7-6-8-15(16)10-11-21(17)14(2)22/h6-11,17,24H,5,12-13H2,1-4H3
InChIKeyGRLZUDATZFYARX-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 111596114) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)CC1c2ccccc2C=CN1C(C)=O.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is GRLZUDATZFYARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-20(13-19(3,4)24)18(23)12-17-16-9-7-6-8-15(16)10-11-21(17)14(2)22/h6-11,17,24H,5,12-13H2,1-4H3.
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 111596114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).