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

C18H28N2O — CID 109024565

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN1CCc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-3-11-20(12-4-2)18(21)10-14-19-13-9-16-7-5-6-8-17(16)15-19/h5-8H,3-4,9-15H2,1-2H3
InChIKeyWFIMRNUGKVRPJO-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds7

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

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide (PubChem CID 109024565) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
PubChem CID109024565
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN1CCc2ccccc2C1
InChIInChI=1S/C18H28N2O/c1-3-11-20(12-4-2)18(21)10-14-19-13-9-16-7-5-6-8-17(16)15-19/h5-8H,3-4,9-15H2,1-2H3
InChIKeyWFIMRNUGKVRPJO-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide 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

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109031254
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide
CID 144656215
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017206
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
methyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 10955041
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
N,N-dipropyl-3-pyrrolidin-1-ylpropanamide
CID 110688187
1-butyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-ethylurea
CID 78890521
N-tert-butyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024556
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63152972

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide (CID 109024565) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN1CCc2ccccc2C1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide?
The InChIKey is WFIMRNUGKVRPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-11-20(12-4-2)18(21)10-14-19-13-9-16-7-5-6-8-17(16)15-19/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 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,N-dipropylpropanamide is sourced from PubChem (CID 109024565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).