4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

C20H24N2O2 — CID 18687408

IUPAC4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cccc3c2CCN(C)C3)c(OC)c1
InChIInChI=1S/C20H24N2O2/c1-4-14-8-9-17(19(12-14)24-3)20(23)21-18-7-5-6-15-13-22(2)11-10-16(15)18/h5-9,12H,4,10-11,13H2,1-3H3,(H,21,23)
InChIKeyUOOIJEBUACUWDO-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.50
Rot. Bonds4

About 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide (PubChem CID 18687408) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
PubChem CID18687408
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cccc3c2CCN(C)C3)c(OC)c1
InChIInChI=1S/C20H24N2O2/c1-4-14-8-9-17(19(12-14)24-3)20(23)21-18-7-5-6-15-13-22(2)11-10-16(15)18/h5-9,12H,4,10-11,13H2,1-3H3,(H,21,23)
InChIKeyUOOIJEBUACUWDO-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
The IUPAC name of 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide (CID 18687408) is 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide.
What is the SMILES notation for 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
The canonical SMILES for 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide is CCc1ccc(C(=O)Nc2cccc3c2CCN(C)C3)c(OC)c1.
What is the InChIKey of 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
The InChIKey is UOOIJEBUACUWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14-8-9-17(19(12-14)24-3)20(23)21-18-7-5-6-15-13-22(2)11-10-16(15)18/h5-9,12H,4,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide?
4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide is sourced from PubChem (CID 18687408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).