2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

C17H18N2O2 — CID 43808436

IUPAC2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)17(20)19-15-7-4-5-12-11-18-10-9-13(12)15/h2-8,18H,9-11H2,1H3,(H,19,20)
InChIKeyRYRGNTDRZXOCMB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.59
Rot. Bonds3

About 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide

2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (PubChem CID 43808436) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
PubChem CID43808436
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc2c1CCNC2
InChIInChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)17(20)19-15-7-4-5-12-11-18-10-9-13(12)15/h2-8,18H,9-11H2,1H3,(H,19,20)
InChIKeyRYRGNTDRZXOCMB-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
2,4-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 43808455
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
5-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547994
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
4-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80548205
N-[1-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 120881100
2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120883647
N-(2-chloro-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557980
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The IUPAC name of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide (CID 43808436) is 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is COc1ccccc1C(=O)Nc1cccc2c1CCNC2.
What is the InChIKey of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
The InChIKey is RYRGNTDRZXOCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-8-3-2-6-14(16)17(20)19-15-7-4-5-12-11-18-10-9-13(12)15/h2-8,18H,9-11H2,1H3,(H,19,20).
What are the key properties of 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide?
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide is sourced from PubChem (CID 43808436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).