N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide

C25H26N2O3 — CID 3038738

IUPACN-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2CCN(Cc2ccccc2)C3)cc1OC
InChIInChI=1S/C25H26N2O3/c1-29-23-12-11-19(15-24(23)30-2)25(28)26-22-10-6-9-20-17-27(14-13-21(20)22)16-18-7-4-3-5-8-18/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28)
InChIKeyRDZNFFLOJKAAPB-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.51
Rot. Bonds6

About N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide

N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide (PubChem CID 3038738) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
PubChem CID3038738
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2CCN(Cc2ccccc2)C3)cc1OC
InChIInChI=1S/C25H26N2O3/c1-29-23-12-11-19(15-24(23)30-2)25(28)26-22-10-6-9-20-17-27(14-13-21(20)22)16-18-7-4-3-5-8-18/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28)
InChIKeyRDZNFFLOJKAAPB-UHFFFAOYSA-N
XLogP4.51
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-chloro-2,4-dimethoxybenzamide
CID 102242040
6-benzyl-2-[(3,4-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798247
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,5-dimethoxyphenyl)benzamide
CID 1360838
ethyl 6-benzyl-2-[(3,4-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 16806121
N-[[3-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 25056114
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-(trifluoromethyl)benzamide
CID 102242048
4-benzoyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
CID 18687391
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92672000
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methoxy-4-prop-2-enoxybenzamide
CID 24599368
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
N-[[3-[[2-[(2,6-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 25056115

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide (CID 3038738) is N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc3c2CCN(Cc2ccccc2)C3)cc1OC.
What is the InChIKey of N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide?
The InChIKey is RDZNFFLOJKAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-23-12-11-19(15-24(23)30-2)25(28)26-22-10-6-9-20-17-27(14-13-21(20)22)16-18-7-4-3-5-8-18/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28).
What are the key properties of N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide?
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide has a molecular weight of 402.49 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 3038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).