3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide

C19H22N2O — CID 119581012

IUPAC3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)6-9-19(22)21-18-8-7-16-10-11-20-13-17(16)12-18/h2-5,7-8,12,20H,6,9-11,13H2,1H3,(H,21,22)
InChIKeyJMUHXKJEJVRSLO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.21
Rot. Bonds4

About 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide

3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide (PubChem CID 119581012) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
PubChem CID119581012
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)CNCC3)cc1
InChIInChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)6-9-19(22)21-18-8-7-16-10-11-20-13-17(16)12-18/h2-5,7-8,12,20H,6,9-11,13H2,1H3,(H,21,22)
InChIKeyJMUHXKJEJVRSLO-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
CID 75482522
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide
CID 166298523
3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42292030
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901319
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42592111
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806990
3-(4-methylphenyl)-N-[2-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 26398634
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide (CID 119581012) is 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc3c(c2)CNCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide?
The InChIKey is JMUHXKJEJVRSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)6-9-19(22)21-18-8-7-16-10-11-20-13-17(16)12-18/h2-5,7-8,12,20H,6,9-11,13H2,1H3,(H,21,22).
What are the key properties of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide?
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide is sourced from PubChem (CID 119581012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).