3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide

C18H20N2O2 — CID 82585016

IUPAC3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CNCc3ccc(C)cc32)c1
InChIInChI=1S/C18H20N2O2/c1-12-6-7-14-10-19-11-17(16(14)8-12)20-18(21)13-4-3-5-15(9-13)22-2/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyNJBGIPFCIAMDPI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.58
Rot. Bonds3

About 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide

3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide (PubChem CID 82585016) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
PubChem CID82585016
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CNCc3ccc(C)cc32)c1
InChIInChI=1S/C18H20N2O2/c1-12-6-7-14-10-19-11-17(16(14)8-12)20-18(21)13-4-3-5-15(9-13)22-2/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)
InChIKeyNJBGIPFCIAMDPI-UHFFFAOYSA-N
XLogP2.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82584938
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CID 132651012
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
2,3-dihydro-1H-isoindol-5-yl-(3-methoxyphenyl)methanone
CID 116612991
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
N-(3-cyanopiperidin-4-yl)-3-methoxybenzamide;hydrochloride
CID 140694639
N-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261026

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide (CID 82585016) is 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide is COc1cccc(C(=O)NC2CNCc3ccc(C)cc32)c1.
What is the InChIKey of 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
The InChIKey is NJBGIPFCIAMDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-6-7-14-10-19-11-17(16(14)8-12)20-18(21)13-4-3-5-15(9-13)22-2/h3-9,17,19H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide?
3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide is sourced from PubChem (CID 82585016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).