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

C20H24N2O — CID 739974

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O/c1-15-7-8-16(2)19(13-15)21-20(23)10-12-22-11-9-17-5-3-4-6-18(17)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyRKRWOGPCGLBISV-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.69
Rot. Bonds4

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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 739974) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID739974
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O/c1-15-7-8-16(2)19(13-15)21-20(23)10-12-22-11-9-17-5-3-4-6-18(17)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyRKRWOGPCGLBISV-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.69
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-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide (CID 739974) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCN2CCc3ccccc3C2)c1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is RKRWOGPCGLBISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-7-8-16(2)19(13-15)21-20(23)10-12-22-11-9-17-5-3-4-6-18(17)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.69, 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-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 739974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).