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

C32H38N2O5 — CID 22742523

IUPAC2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C32H38N2O5/c1-36-28-13-12-21(17-29(28)37-2)16-27-25-19-31(39-4)30(38-3)18-23(25)14-15-34(27)20-32(35)33-26-11-7-9-22-8-5-6-10-24(22)26/h5-6,8,10,12-13,17-19,26-27H,7,9,11,14-16,20H2,1-4H3,(H,33,35)
InChIKeyULWOQYXTZAOOPO-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.06
Rot. Bonds9

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

2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 22742523) 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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID22742523
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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CCCc3ccccc32)cc1OC
InChIInChI=1S/C32H38N2O5/c1-36-28-13-12-21(17-29(28)37-2)16-27-25-19-31(39-4)30(38-3)18-23(25)14-15-34(27)20-32(35)33-26-11-7-9-22-8-5-6-10-24(22)26/h5-6,8,10,12-13,17-19,26-27H,7,9,11,14-16,20H2,1-4H3,(H,33,35)
InChIKeyULWOQYXTZAOOPO-UHFFFAOYSA-N
XLogP5.06
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 ≤ 55.06
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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 22742523) is 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CCCc3ccccc32)cc1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is ULWOQYXTZAOOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O5/c1-36-28-13-12-21(17-29(28)37-2)16-27-25-19-31(39-4)30(38-3)18-23(25)14-15-34(27)20-32(35)33-26-11-7-9-22-8-5-6-10-24(22)26/h5-6,8,10,12-13,17-19,26-27H,7,9,11,14-16,20H2,1-4H3,(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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 530.67 g/mol, XLogP of 5.06, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 22742523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).