2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide

C32H38N2O5 — CID 22742622

IUPAC2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CC(C)c3ccccc32)cc1OC
InChIInChI=1S/C32H38N2O5/c1-20-14-26(24-9-7-6-8-23(20)24)33-32(35)19-34-13-12-22-17-30(38-4)31(39-5)18-25(22)27(34)15-21-10-11-28(36-2)29(16-21)37-3/h6-11,16-18,20,26-27H,12-15,19H2,1-5H3,(H,33,35)
InChIKeyUWRNOWWZJSXEPD-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.23
Rot. Bonds9

About 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide

2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 22742622) has the molecular formula C32H38N2O5 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID22742622
Molecular FormulaC32H38N2O5
Molecular Weight530.67 g/mol
Exact Mass530.28
IUPAC Name2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CC(C)c3ccccc32)cc1OC
InChIInChI=1S/C32H38N2O5/c1-20-14-26(24-9-7-6-8-23(20)24)33-32(35)19-34-13-12-22-17-30(38-4)31(39-5)18-25(22)27(34)15-21-10-11-28(36-2)29(16-21)37-3/h6-11,16-18,20,26-27H,12-15,19H2,1-5H3,(H,33,35)
InChIKeyUWRNOWWZJSXEPD-UHFFFAOYSA-N
XLogP5.23
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide with MolForge

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 69039913
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742819
N-(2,3-dihydro-1H-inden-1-yl)-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 22742841
2-[7-(2-cyclopropylethoxy)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 142656794
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 10864538
2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742765
2-[1-[(3-bromo-4-methoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 22742836
2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[methoxy(phenyl)methyl]acetamide
CID 139968420
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 10185596
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 22742754
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-heptylacetamide
CID 73356769
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 22742567

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide (CID 22742622) is 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide is COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CC(C)c3ccccc32)cc1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is UWRNOWWZJSXEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O5/c1-20-14-26(24-9-7-6-8-23(20)24)33-32(35)19-34-13-12-22-17-30(38-4)31(39-5)18-25(22)27(34)15-21-10-11-28(36-2)29(16-21)37-3/h6-11,16-18,20,26-27H,12-15,19H2,1-5H3,(H,33,35).
What are the key properties of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide?
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 530.67 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3-methyl-2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 22742622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).