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

C30H36N2O5 — CID 10983971

IUPAC2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C30H36N2O5/c1-20(22-9-7-6-8-10-22)31-30(33)19-32-14-13-23-17-28(36-4)29(37-5)18-24(23)25(32)15-21-11-12-26(34-2)27(16-21)35-3/h6-12,16-18,20,25H,13-15,19H2,1-5H3,(H,31,33)
InChIKeyBPPYYMZLRANARW-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.74
Rot. Bonds10

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

2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide (PubChem CID 10983971) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide
PubChem CID10983971
Molecular FormulaC30H36N2O5
Molecular Weight504.63 g/mol
Exact Mass504.26
IUPAC Name2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC(C)c2ccccc2)cc1OC
InChIInChI=1S/C30H36N2O5/c1-20(22-9-7-6-8-10-22)31-30(33)19-32-14-13-23-17-28(36-4)29(37-5)18-24(23)25(32)15-21-11-12-26(34-2)27(16-21)35-3/h6-12,16-18,20,25H,13-15,19H2,1-5H3,(H,31,33)
InChIKeyBPPYYMZLRANARW-UHFFFAOYSA-N
XLogP4.74
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.74
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-phenylethyl)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-phenylethyl)acetamide?
The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide (CID 10983971) is 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)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-phenylethyl)acetamide?
The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide is COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC(C)c2ccccc2)cc1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is BPPYYMZLRANARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-20(22-9-7-6-8-10-22)31-30(33)19-32-14-13-23-17-28(36-4)29(37-5)18-24(23)25(32)15-21-11-12-26(34-2)27(16-21)35-3/h6-12,16-18,20,25H,13-15,19H2,1-5H3,(H,31,33).
What are the key properties of 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide?
2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 504.63 g/mol, XLogP of 4.74, 10 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-phenylethyl)acetamide is sourced from PubChem (CID 10983971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).