2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

C22H33N3O3 — CID 55519086

IUPAC2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C22H33N3O3/c1-16(2)21(24-10-12-28-13-11-24)15-23-22(27)14-20-19-7-5-4-6-18(19)8-9-25(20)17(3)26/h4-7,16,20-21H,8-15H2,1-3H3,(H,23,27)
InChIKeyQEGKMUDVJVGPOW-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.00
Rot. Bonds6

About 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (PubChem CID 55519086) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
PubChem CID55519086
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCC(=O)N1CCc2ccccc2C1CC(=O)NCC(C(C)C)N1CCOCC1
InChIInChI=1S/C22H33N3O3/c1-16(2)21(24-10-12-28-13-11-24)15-23-22(27)14-20-19-7-5-4-6-18(19)8-9-25(20)17(3)26/h4-7,16,20-21H,8-15H2,1-3H3,(H,23,27)
InChIKeyQEGKMUDVJVGPOW-UHFFFAOYSA-N
XLogP2.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (CID 55519086) is 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is CC(=O)N1CCc2ccccc2C1CC(=O)NCC(C(C)C)N1CCOCC1.
What is the InChIKey of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The InChIKey is QEGKMUDVJVGPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16(2)21(24-10-12-28-13-11-24)15-23-22(27)14-20-19-7-5-4-6-18(19)8-9-25(20)17(3)26/h4-7,16,20-21H,8-15H2,1-3H3,(H,23,27).
What are the key properties of 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide has a molecular weight of 387.52 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 55519086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).