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

C32H38N2O6 — CID 22742821

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCOc1cc2c(cc1OC)C(Cc1ccc(OC)c(OC)c1OC)N(CC(=O)NC1Cc3ccccc3C1)CC2
InChIInChI=1S/C32H38N2O6/c1-36-27-11-10-23(31(39-4)32(27)40-5)16-26-25-18-29(38-3)28(37-2)17-22(25)12-13-34(26)19-30(35)33-24-14-20-8-6-7-9-21(20)15-24/h6-11,17-18,24,26H,12-16,19H2,1-5H3,(H,33,35)
InChIKeyLSOHXJAYVQNUEI-UHFFFAOYSA-N
MW546.66 g/mol
LogP4.16
Rot. Bonds10

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

N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 22742821) has the molecular formula C32H38N2O6 and a molecular weight of 546.66 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
PubChem CID22742821
Molecular FormulaC32H38N2O6
Molecular Weight546.66 g/mol
Exact Mass546.27
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCOc1cc2c(cc1OC)C(Cc1ccc(OC)c(OC)c1OC)N(CC(=O)NC1Cc3ccccc3C1)CC2
InChIInChI=1S/C32H38N2O6/c1-36-27-11-10-23(31(39-4)32(27)40-5)16-26-25-18-29(38-3)28(37-2)17-22(25)12-13-34(26)19-30(35)33-24-14-20-8-6-7-9-21(20)15-24/h6-11,17-18,24,26H,12-16,19H2,1-5H3,(H,33,35)
InChIKeyLSOHXJAYVQNUEI-UHFFFAOYSA-N
XLogP4.16
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.66
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(naphthalen-1-ylmethyl)acetamide
CID 22742713
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
N-(2,3-dihydro-1H-inden-2-yl)-2-[5-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 10230290
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
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-[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
2-(1-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 22742765
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
N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-ethoxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 10185596
2-[6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(naphthalen-1-ylmethyl)acetamide
CID 22742684
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-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 22742754

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 22742821) is N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is COc1cc2c(cc1OC)C(Cc1ccc(OC)c(OC)c1OC)N(CC(=O)NC1Cc3ccccc3C1)CC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The InChIKey is LSOHXJAYVQNUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O6/c1-36-27-11-10-23(31(39-4)32(27)40-5)16-26-25-18-29(38-3)28(37-2)17-22(25)12-13-34(26)19-30(35)33-24-14-20-8-6-7-9-21(20)15-24/h6-11,17-18,24,26H,12-16,19H2,1-5H3,(H,33,35).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 546.66 g/mol, XLogP of 4.16, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[6,7-dimethoxy-1-[(2,3,4-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 22742821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).