N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide

C23H27Cl2N3O4 — CID 27132373

IUPACN-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C23H27Cl2N3O4/c1-4-27(13-21(29)26-23-17(24)6-5-7-18(23)25)14-22(30)28-9-8-15-10-19(31-2)20(32-3)11-16(15)12-28/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,26,29)
InChIKeyUNGYFNOXQPAAFJ-UHFFFAOYSA-N
MW480.39 g/mol
LogP3.86
Rot. Bonds8

About N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide

N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 27132373) has the molecular formula C23H27Cl2N3O4 and a molecular weight of 480.39 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide
PubChem CID27132373
Molecular FormulaC23H27Cl2N3O4
Molecular Weight480.39 g/mol
Exact Mass479.14
IUPAC NameN-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C23H27Cl2N3O4/c1-4-27(13-21(29)26-23-17(24)6-5-7-18(23)25)14-22(30)28-9-8-15-10-19(31-2)20(32-3)11-16(15)12-28/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,26,29)
InChIKeyUNGYFNOXQPAAFJ-UHFFFAOYSA-N
XLogP3.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide 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

ethyl N-[2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792335
N-(3-chlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 38131317
1-butyl-1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(2,6-dimethylphenyl)urea
CID 42708982
2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 8817464
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-amino-3-chlorobenzoate
CID 24531285
N-(3-chlorophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropanamide
CID 108951413
2-[(3-chlorophenyl)methyl-methylamino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 26512469
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-N-phenylpropanamide
CID 108951390
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41445035
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8598761
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)-3-oxo-N,N-dipropylpropanamide
CID 108951388

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide (CID 27132373) is N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is UNGYFNOXQPAAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O4/c1-4-27(13-21(29)26-23-17(24)6-5-7-18(23)25)14-22(30)28-9-8-15-10-19(31-2)20(32-3)11-16(15)12-28/h5-7,10-11H,4,8-9,12-14H2,1-3H3,(H,26,29).
What are the key properties of N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 480.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 27132373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).