2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

C29H32N2O3 — CID 11123332

IUPAC2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(Cc1ccccc1)N(CC(=O)NC1CCc3ccccc31)CC2
InChIInChI=1S/C29H32N2O3/c1-33-27-17-22-14-15-31(19-29(32)30-25-13-12-21-10-6-7-11-23(21)25)26(24(22)18-28(27)34-2)16-20-8-4-3-5-9-20/h3-11,17-18,25-26H,12-16,19H2,1-2H3,(H,30,32)
InChIKeyAOHGDIAKNFOWEK-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.65
Rot. Bonds7

About 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 11123332) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID11123332
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC Name2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCOc1cc2c(cc1OC)C(Cc1ccccc1)N(CC(=O)NC1CCc3ccccc31)CC2
InChIInChI=1S/C29H32N2O3/c1-33-27-17-22-14-15-31(19-29(32)30-25-13-12-21-10-6-7-11-23(21)25)26(24(22)18-28(27)34-2)16-20-8-4-3-5-9-20/h3-11,17-18,25-26H,12-16,19H2,1-2H3,(H,30,32)
InChIKeyAOHGDIAKNFOWEK-UHFFFAOYSA-N
XLogP4.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 11123332) is 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide is COc1cc2c(cc1OC)C(Cc1ccccc1)N(CC(=O)NC1CCc3ccccc31)CC2.
What is the InChIKey of 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is AOHGDIAKNFOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-33-27-17-22-14-15-31(19-29(32)30-25-13-12-21-10-6-7-11-23(21)25)26(24(22)18-28(27)34-2)16-20-8-4-3-5-9-20/h3-11,17-18,25-26H,12-16,19H2,1-2H3,(H,30,32).
What are the key properties of 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 11123332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).