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

C19H22N2O — CID 4786224

IUPACN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O/c1-15(19(22)20-13-16-7-3-2-4-8-16)21-12-11-17-9-5-6-10-18(17)14-21/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyIKHULFXUWHRKKX-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.75
Rot. Bonds4

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

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 4786224) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID4786224
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C19H22N2O/c1-15(19(22)20-13-16-7-3-2-4-8-16)21-12-11-17-9-5-6-10-18(17)14-21/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyIKHULFXUWHRKKX-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289
N-(2-amino-2-methylpropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 119628097
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461265
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(methylamino)propyl]propanamide;dihydrochloride
CID 119431742
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446966
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120651396
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46650271
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 4786224) is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is CC(C(=O)NCc1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is IKHULFXUWHRKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15(19(22)20-13-16-7-3-2-4-8-16)21-12-11-17-9-5-6-10-18(17)14-21/h2-10,15H,11-14H2,1H3,(H,20,22).
What are the key properties of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 4786224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).