2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide

C19H29N3O4 — CID 8993438

IUPAC2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide
SMILESCCOc1cc2c(cc1OCC)CN(CC(=O)NCC(=O)N(C)C)CC2
InChIInChI=1S/C19H29N3O4/c1-5-25-16-9-14-7-8-22(12-15(14)10-17(16)26-6-2)13-18(23)20-11-19(24)21(3)4/h9-10H,5-8,11-13H2,1-4H3,(H,20,23)
InChIKeyDFAOCPGAGAFKCY-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.05
Rot. Bonds8

About 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide

2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide (PubChem CID 8993438) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide
PubChem CID8993438
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide
SMILESCCOc1cc2c(cc1OCC)CN(CC(=O)NCC(=O)N(C)C)CC2
InChIInChI=1S/C19H29N3O4/c1-5-25-16-9-14-7-8-22(12-15(14)10-17(16)26-6-2)13-18(23)20-11-19(24)21(3)4/h9-10H,5-8,11-13H2,1-4H3,(H,20,23)
InChIKeyDFAOCPGAGAFKCY-UHFFFAOYSA-N
XLogP1.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8993348
N-[(2-chlorophenyl)methyl]-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992948
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)acetamide
CID 8993026
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8993209
N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992902
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide
CID 8992967
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8993451
N-(2-chloro-4-methylphenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992890
N-(2,3-dichlorophenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8993006
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8993313
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide (CID 8993438) is 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide is CCOc1cc2c(cc1OCC)CN(CC(=O)NCC(=O)N(C)C)CC2.
What is the InChIKey of 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is DFAOCPGAGAFKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-5-25-16-9-14-7-8-22(12-15(14)10-17(16)26-6-2)13-18(23)20-11-19(24)21(3)4/h9-10H,5-8,11-13H2,1-4H3,(H,20,23).
What are the key properties of 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide?
2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 363.46 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 8993438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).