N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide

C21H27N3O3 — CID 141275639

IUPACN-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide
SMILESCOc1cc2c(cc1OC)CN(CCNc1ccccc1NC(C)=O)CC2
InChIInChI=1S/C21H27N3O3/c1-15(25)23-19-7-5-4-6-18(19)22-9-11-24-10-8-16-12-20(26-2)21(27-3)13-17(16)14-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyWYOBYGRQFGHOOI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide

N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide (PubChem CID 141275639) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide
PubChem CID141275639
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide
SMILESCOc1cc2c(cc1OC)CN(CCNc1ccccc1NC(C)=O)CC2
InChIInChI=1S/C21H27N3O3/c1-15(25)23-19-7-5-4-6-18(19)22-9-11-24-10-8-16-12-20(26-2)21(27-3)13-17(16)14-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25)
InChIKeyWYOBYGRQFGHOOI-UHFFFAOYSA-N
XLogP3.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109031276
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111088824
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109031261
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-phenoxyphenyl)acetamide
CID 27197068
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
1-tert-butyl-2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]guanidine
CID 111088841
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8760829
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 21091930
4-acetyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide
CID 21092141

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide (CID 141275639) is N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide is COc1cc2c(cc1OC)CN(CCNc1ccccc1NC(C)=O)CC2.
What is the InChIKey of N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is WYOBYGRQFGHOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(25)23-19-7-5-4-6-18(19)22-9-11-24-10-8-16-12-20(26-2)21(27-3)13-17(16)14-24/h4-7,12-13,22H,8-11,14H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide?
N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 141275639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).