N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C24H32N2O3 — CID 109031276

IUPACN-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)Nc1ccccc1C(C)(C)C)CC2
InChIInChI=1S/C24H32N2O3/c1-24(2,3)19-8-6-7-9-20(19)25-23(27)11-13-26-12-10-17-14-21(28-4)22(29-5)15-18(17)16-26/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)
InChIKeyAAJZTEKZBWMWME-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.39
Rot. Bonds6

About N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide

N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 109031276) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID109031276
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)Nc1ccccc1C(C)(C)C)CC2
InChIInChI=1S/C24H32N2O3/c1-24(2,3)19-8-6-7-9-20(19)25-23(27)11-13-26-12-10-17-14-21(28-4)22(29-5)15-18(17)16-26/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27)
InChIKeyAAJZTEKZBWMWME-UHFFFAOYSA-N
XLogP4.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109031261
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide
CID 141275639
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 75490504
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(dodecanoylamino)benzamide
CID 122188659
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 21091930
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109031254

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 109031276) is N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide is COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccccc1C(C)(C)C)CC2.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is AAJZTEKZBWMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-24(2,3)19-8-6-7-9-20(19)25-23(27)11-13-26-12-10-17-14-21(28-4)22(29-5)15-18(17)16-26/h6-9,14-15H,10-13,16H2,1-5H3,(H,25,27).
What are the key properties of N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 396.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 109031276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).