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

C18H20N2O — CID 6468687

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCc2ccccc2C1
InChIInChI=1S/C18H20N2O/c1-14-6-2-5-9-17(14)19-18(21)13-20-11-10-15-7-3-4-8-16(15)12-20/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyHZMPGHZWYHVOAT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.99
Rot. Bonds3

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide (PubChem CID 6468687) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide
PubChem CID6468687
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1CCc2ccccc2C1
InChIInChI=1S/C18H20N2O/c1-14-6-2-5-9-17(14)19-18(21)13-20-11-10-15-7-3-4-8-16(15)12-20/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyHZMPGHZWYHVOAT-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.99
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-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide (CID 6468687) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is HZMPGHZWYHVOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-6-2-5-9-17(14)19-18(21)13-20-11-10-15-7-3-4-8-16(15)12-20/h2-9H,10-13H2,1H3,(H,19,21).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 2.99, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 6468687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).