(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide

C18H28N2O3 — CID 8993354

IUPAC(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N1CCc2cc(OCC)c(OCC)cc2C1
InChIInChI=1S/C18H28N2O3/c1-5-19-18(21)13(4)20-9-8-14-10-16(22-6-2)17(23-7-3)11-15(14)12-20/h10-11,13H,5-9,12H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyCNEFZIUXVBZGAX-CYBMUJFWSA-N
MW320.43 g/mol
LogP2.37
Rot. Bonds7

About (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide

(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide (PubChem CID 8993354) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
PubChem CID8993354
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N1CCc2cc(OCC)c(OCC)cc2C1
InChIInChI=1S/C18H28N2O3/c1-5-19-18(21)13(4)20-9-8-14-10-16(22-6-2)17(23-7-3)11-15(14)12-20/h10-11,13H,5-9,12H2,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyCNEFZIUXVBZGAX-CYBMUJFWSA-N
XLogP2.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8993216
(2R)-2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-ethylpropanamide
CID 8993353
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 8513659
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 119693099
3-amino-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 119693122
2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 8993209
(2R)-N-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513842
4-amino-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one;hydrochloride
CID 120559364
N-[(2-chlorophenyl)methyl]-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8992948
(2R)-N-(4-acetylphenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513641
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide;dihydrochloride
CID 120651396
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
The IUPAC name of (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide (CID 8993354) is (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
The canonical SMILES for (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide is CCNC(=O)[C@@H](C)N1CCc2cc(OCC)c(OCC)cc2C1.
What is the InChIKey of (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
The InChIKey is CNEFZIUXVBZGAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-19-18(21)13(4)20-9-8-14-10-16(22-6-2)17(23-7-3)11-15(14)12-20/h10-11,13H,5-9,12H2,1-4H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide has a molecular weight of 320.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 8993354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).