4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

C22H28N2O2 — CID 10066617

IUPAC4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-7-9-19(20(13-17)26-5)21(25)23-18-8-6-15-10-11-24(4)14-16(15)12-18/h6-9,12-13H,10-11,14H2,1-5H3,(H,23,25)
InChIKeyJXXWIJHRAQTGNN-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.23
Rot. Bonds3

About 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (PubChem CID 10066617) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
PubChem CID10066617
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
SMILESCOc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-7-9-19(20(13-17)26-5)21(25)23-18-8-6-15-10-11-24(4)14-16(15)12-18/h6-9,12-13H,10-11,14H2,1-5H3,(H,23,25)
InChIKeyJXXWIJHRAQTGNN-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)benzamide
CID 160843612
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;hydrochloride
CID 18687473
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(trifluoromethoxy)benzamide
CID 70206950
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2,4-dimethoxybenzamide
CID 16942883
2-bromo-5-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597747
2,4-difluoro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597780
4-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1,1,2,2,2-pentafluoroethyl)benzamide;hydrochloride
CID 22597764
4-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597703
3-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-oxazole-5-carboxamide
CID 22597836
4-tert-butyl-2-methoxy-N-[3-(1-methylpiperidin-2-yl)phenyl]benzamide
CID 12971739
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The IUPAC name of 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide (CID 10066617) is 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The canonical SMILES for 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)CN(C)CC2.
What is the InChIKey of 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
The InChIKey is JXXWIJHRAQTGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)17-7-9-19(20(13-17)26-5)21(25)23-18-8-6-15-10-11-24(4)14-16(15)12-18/h6-9,12-13H,10-11,14H2,1-5H3,(H,23,25).
What are the key properties of 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide?
4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide is sourced from PubChem (CID 10066617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).