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

C19H23ClN2O — CID 52998055

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-15-5-4-8-18(13-15)20-19(22)10-12-21-11-9-16-6-2-3-7-17(16)14-21;/h2-8,13H,9-12,14H2,1H3,(H,20,22);1H
InChIKeyLLSFGJQLKHAGFF-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.80
Rot. Bonds4

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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride (PubChem CID 52998055) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
PubChem CID52998055
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
SMILESCc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1.Cl
InChIInChI=1S/C19H22N2O.ClH/c1-15-5-4-8-18(13-15)20-19(22)10-12-21-11-9-16-6-2-3-7-17(16)14-21;/h2-8,13H,9-12,14H2,1H3,(H,20,22);1H
InChIKeyLLSFGJQLKHAGFF-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)propanamide
CID 110342760
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;oxalic acid
CID 171154302
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(3-methylphenyl)thiourea
CID 94087666
N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024617
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 109024615
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride (CID 52998055) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride is Cc1cccc(NC(=O)CCN2CCc3ccccc3C2)c1.Cl.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
The InChIKey is LLSFGJQLKHAGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c1-15-5-4-8-18(13-15)20-19(22)10-12-21-11-9-16-6-2-3-7-17(16)14-21;/h2-8,13H,9-12,14H2,1H3,(H,20,22);1H.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.80, 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-(3-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 52998055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).