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

C19H22N2O — CID 772632

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O/c1-15-6-2-5-9-18(15)20-19(22)11-13-21-12-10-16-7-3-4-8-17(16)14-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyCNBFEFLOBYVRIK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.38
Rot. Bonds4

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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide (PubChem CID 772632) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide
PubChem CID772632
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCN1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O/c1-15-6-2-5-9-18(15)20-19(22)11-13-21-12-10-16-7-3-4-8-17(16)14-21/h2-9H,10-14H2,1H3,(H,20,22)
InChIKeyCNBFEFLOBYVRIK-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide (CID 772632) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCN1CCc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is CNBFEFLOBYVRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-6-2-5-9-18(15)20-19(22)11-13-21-12-10-16-7-3-4-8-17(16)14-21/h2-9H,10-14H2,1H3,(H,20,22).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 772632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).