2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide

C25H34N2O3 — CID 8992967

IUPAC2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCOc1cc2c(cc1OCC)CN(CC(=O)Nc1c(CC)cccc1CC)CC2
InChIInChI=1S/C25H34N2O3/c1-5-18-10-9-11-19(6-2)25(18)26-24(28)17-27-13-12-20-14-22(29-7-3)23(30-8-4)15-21(20)16-27/h9-11,14-15H,5-8,12-13,16-17H2,1-4H3,(H,26,28)
InChIKeyBLLOIIAOEDXNLP-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.61
Rot. Bonds9

About 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide

2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide (PubChem CID 8992967) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide
PubChem CID8992967
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCOc1cc2c(cc1OCC)CN(CC(=O)Nc1c(CC)cccc1CC)CC2
InChIInChI=1S/C25H34N2O3/c1-5-18-10-9-11-19(6-2)25(18)26-24(28)17-27-13-12-20-14-22(29-7-3)23(30-8-4)15-21(20)16-27/h9-11,14-15H,5-8,12-13,16-17H2,1-4H3,(H,26,28)
InChIKeyBLLOIIAOEDXNLP-UHFFFAOYSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8993006
N-[(2-chlorophenyl)methyl]-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992948
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8760829
N-(2-chloro-4-methylphenyl)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992890
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-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8993313
2-[[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylacetamide
CID 8993438
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
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-(1H-indol-3-yl)ethyl]acetamide
CID 8993451
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8993348

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide (CID 8992967) is 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide is CCOc1cc2c(cc1OCC)CN(CC(=O)Nc1c(CC)cccc1CC)CC2.
What is the InChIKey of 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is BLLOIIAOEDXNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-5-18-10-9-11-19(6-2)25(18)26-24(28)17-27-13-12-20-14-22(29-7-3)23(30-8-4)15-21(20)16-27/h9-11,14-15H,5-8,12-13,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide?
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 8992967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).