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

C23H30N2O3 — CID 109022905

IUPACN-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C23H30N2O3/c1-4-25(16-18-8-6-5-7-9-18)23(26)11-13-24-12-10-19-14-21(27-2)22(28-3)15-20(19)17-24/h5-9,14-15H,4,10-13,16-17H2,1-3H3
InChIKeyKYQLNBVUZCRTRA-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.50
Rot. Bonds8

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

N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide (PubChem CID 109022905) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
PubChem CID109022905
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C23H30N2O3/c1-4-25(16-18-8-6-5-7-9-18)23(26)11-13-24-12-10-19-14-21(27-2)22(28-3)15-20(19)17-24/h5-9,14-15H,4,10-13,16-17H2,1-3H3
InChIKeyKYQLNBVUZCRTRA-UHFFFAOYSA-N
XLogP3.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-3-oxopropanamide
CID 108947316
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dipropylpropanamide
CID 109031254
ethyl 4-[3-[benzyl(ethyl)amino]-3-oxopropyl]piperazine-1-carboxylate
CID 109022893
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801127
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 109031268
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-phenylpropan-1-ol
CID 11290357
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 75490504
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide (CID 109022905) is N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
The InChIKey is KYQLNBVUZCRTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-25(16-18-8-6-5-7-9-18)23(26)11-13-24-12-10-19-14-21(27-2)22(28-3)15-20(19)17-24/h5-9,14-15H,4,10-13,16-17H2,1-3H3.
What are the key properties of N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide?
N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpropanamide is sourced from PubChem (CID 109022905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).