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

C22H28N2O3 — CID 109031261

IUPAC3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(C)cc1C)CC2
InChIInChI=1S/C22H28N2O3/c1-15-5-6-19(16(2)11-15)23-22(25)8-10-24-9-7-17-12-20(26-3)21(27-4)13-18(17)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)
InChIKeyLHSJEAQYWXQRRN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.71
Rot. Bonds6

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

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 109031261) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID109031261
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCOc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(C)cc1C)CC2
InChIInChI=1S/C22H28N2O3/c1-15-5-6-19(16(2)11-15)23-22(25)8-10-24-9-7-17-12-20(26-3)21(27-4)13-18(17)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25)
InChIKeyLHSJEAQYWXQRRN-UHFFFAOYSA-N
XLogP3.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.71
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-methoxy-5-methylphenyl)propanamide
CID 109031290
N-(2-tert-butylphenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109031276
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-(4-ethylphenyl)propanamide
CID 109031268
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8993313
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109031254
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
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-phenylacetamide
CID 4899379
N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91843408

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide (CID 109031261) is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide is COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc(C)cc1C)CC2.
What is the InChIKey of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is LHSJEAQYWXQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-5-6-19(16(2)11-15)23-22(25)8-10-24-9-7-17-12-20(26-3)21(27-4)13-18(17)14-24/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,25).
What are the key properties of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide?
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 109031261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).