N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide

C22H28N2O2 — CID 90328725

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-23(22(26)12-11-18-7-3-2-4-8-18)16-21(25)17-24-14-13-19-9-5-6-10-20(19)15-24/h2-10,21,25H,11-17H2,1H3
InChIKeyZLKTUNJGJTWFQB-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.50
Rot. Bonds7

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide (PubChem CID 90328725) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide
PubChem CID90328725
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-23(22(26)12-11-18-7-3-2-4-8-18)16-21(25)17-24-14-13-19-9-5-6-10-20(19)15-24/h2-10,21,25H,11-17H2,1H3
InChIKeyZLKTUNJGJTWFQB-UHFFFAOYSA-N
XLogP2.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide (CID 90328725) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide is CN(CC(O)CN1CCc2ccccc2C1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide?
The InChIKey is ZLKTUNJGJTWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23(22(26)12-11-18-7-3-2-4-8-18)16-21(25)17-24-14-13-19-9-5-6-10-20(19)15-24/h2-10,21,25H,11-17H2,1H3.
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 90328725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).