2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide

C19H22N2O — CID 2351361

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCc3ccccc3C2)c1
InChIInChI=1S/C19H22N2O/c1-14-9-15(2)11-18(10-14)20-19(22)13-21-8-7-16-5-3-4-6-17(16)12-21/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,20,22)
InChIKeyIULBNVXXQDEHIA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.30
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 2351361) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID2351361
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCc3ccccc3C2)c1
InChIInChI=1S/C19H22N2O/c1-14-9-15(2)11-18(10-14)20-19(22)13-21-8-7-16-5-3-4-6-17(16)12-21/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,20,22)
InChIKeyIULBNVXXQDEHIA-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide (CID 2351361) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN2CCc3ccccc3C2)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is IULBNVXXQDEHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-9-15(2)11-18(10-14)20-19(22)13-21-8-7-16-5-3-4-6-17(16)12-21/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2351361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).