N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide

C29H34N2O4 — CID 93151357

About N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide

N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide (PubChem CID 93151357) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide
• PubChem CID: 93151357
• Molecular Formula: C29H34N2O4
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.25
• IUPAC Name: N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide
• SMILES: CC[C@@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1
• InChI: InChI=1S/C29H34N2O4/c1-5-25(30-29(32)22-12-9-13-23(16-22)33-2)28-24-18-27(35-4)26(34-3)17-21(24)14-15-31(28)19-20-10-7-6-8-11-20/h6-13,16-18,25,28H,5,14-15,19H2,1-4H3,(H,30,32)/t25-,28-/m1/s1
• InChIKey: AGCDRCIEVWHYJQ-LEAFIULHSA-N
• XLogP: 5.02
• TPSA: 60.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide?

The IUPAC name of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide (CID 93151357) is N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide.

What is the SMILES notation for N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide?

The canonical SMILES for N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide is CC[C@@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CCN1Cc1ccccc1.

What is the InChIKey of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide?

The InChIKey is AGCDRCIEVWHYJQ-LEAFIULHSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-5-25(30-29(32)22-12-9-13-23(16-22)33-2)28-24-18-27(35-4)26(34-3)17-21(24)14-15-31(28)19-20-10-7-6-8-11-20/h6-13,16-18,25,28H,5,14-15,19H2,1-4H3,(H,30,32)/t25-,28-/m1/s1.

What are the key properties of N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide?

N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide has a molecular weight of 474.60 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[(1R)-2-benzyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]propyl]-3-methoxybenzamide is sourced from PubChem (CID 93151357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).