N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide

C17H26N2O — CID 144656215

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)CCCN1CCc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-3-17(20)19(4-2)12-7-11-18-13-10-15-8-5-6-9-16(15)14-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyLYTCKHVKUNMTDN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.69
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide (PubChem CID 144656215) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide
PubChem CID144656215
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)CCCN1CCc2ccccc2C1
InChIInChI=1S/C17H26N2O/c1-3-17(20)19(4-2)12-7-11-18-13-10-15-8-5-6-9-16(15)14-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyLYTCKHVKUNMTDN-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-ethylurea
CID 78890521
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109024565
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1,1-diethylguanidine;hydroiodide
CID 111057597
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
CID 21092218
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylhexanoic acid
CID 106713887
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperazine-1-carboxylate
CID 3049465
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide (CID 144656215) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide is CCC(=O)N(CC)CCCN1CCc2ccccc2C1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide?
The InChIKey is LYTCKHVKUNMTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-17(20)19(4-2)12-7-11-18-13-10-15-8-5-6-9-16(15)14-18/h5-6,8-9H,3-4,7,10-14H2,1-2H3.
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-ethylpropanamide is sourced from PubChem (CID 144656215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).