(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide

C22H28N2O3 — CID 8513659

IUPAC(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16-6-8-19(9-7-16)23-22(25)15(2)24-11-10-17-12-20(26-3)21(27-4)13-18(17)14-24/h6-9,12-13,15H,5,10-11,14H2,1-4H3,(H,23,25)/t15-/m1/s1
InChIKeyTUNXCEJXRPXHGP-OAHLLOKOSA-N
MW368.48 g/mol
LogP3.65
Rot. Bonds6

About (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide

(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide (PubChem CID 8513659) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
PubChem CID8513659
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C22H28N2O3/c1-5-16-6-8-19(9-7-16)23-22(25)15(2)24-11-10-17-12-20(26-3)21(27-4)13-18(17)14-24/h6-9,12-13,15H,5,10-11,14H2,1-4H3,(H,23,25)/t15-/m1/s1
InChIKeyTUNXCEJXRPXHGP-OAHLLOKOSA-N
XLogP3.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513842
(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-(3,4-dimethoxyphenyl)propanamide
CID 17449931
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 17453700
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 40741134
(2S)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8993216
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 124844088
methyl 5-[(2S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8513886
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 95773972
(2R)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
CID 8993354
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide (CID 8513659) is (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)cc1.
What is the InChIKey of (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide?
The InChIKey is TUNXCEJXRPXHGP-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-16-6-8-19(9-7-16)23-22(25)15(2)24-11-10-17-12-20(26-3)21(27-4)13-18(17)14-24/h6-9,12-13,15H,5,10-11,14H2,1-4H3,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide?
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 8513659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).