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

C30H36N2O5 — CID 10983972

IUPACN-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C30H36N2O5/c1-31(19-21-9-7-6-8-10-21)30(33)20-32-14-13-23-17-28(36-4)29(37-5)18-24(23)25(32)15-22-11-12-26(34-2)27(16-22)35-3/h6-12,16-18,25H,13-15,19-20H2,1-5H3
InChIKeyWYRVNRWVHSLADF-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.52
Rot. Bonds10

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

N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide (PubChem CID 10983972) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide
PubChem CID10983972
Molecular FormulaC30H36N2O5
Molecular Weight504.63 g/mol
Exact Mass504.26
IUPAC NameN-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C30H36N2O5/c1-31(19-21-9-7-6-8-10-21)30(33)20-32-14-13-23-17-28(36-4)29(37-5)18-24(23)25(32)15-22-11-12-26(34-2)27(16-22)35-3/h6-12,16-18,25H,13-15,19-20H2,1-5H3
InChIKeyWYRVNRWVHSLADF-UHFFFAOYSA-N
XLogP4.52
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide 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 N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide (CID 10983972) is N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide is COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide?
The InChIKey is WYRVNRWVHSLADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-31(19-21-9-7-6-8-10-21)30(33)20-32-14-13-23-17-28(36-4)29(37-5)18-24(23)25(32)15-22-11-12-26(34-2)27(16-22)35-3/h6-12,16-18,25H,13-15,19-20H2,1-5H3.
What are the key properties of N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide?
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide has a molecular weight of 504.63 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylacetamide is sourced from PubChem (CID 10983972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).