5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide

C29H34N2O4 — CID 93336950

About 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide

5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide (PubChem CID 93336950) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide
• PubChem CID: 93336950
• Molecular Formula: C29H34N2O4
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.25
• IUPAC Name: 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide
• SMILES: CCCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)C(C)(C)C)CC3)o1
• InChI: InChI=1S/C29H34N2O4/c1-5-16-30-27(32)25-14-13-23(35-25)19-34-22-12-11-20-15-17-31(28(33)29(2,3)4)26(24(20)18-22)21-9-7-6-8-10-21/h6-14,18,26H,5,15-17,19H2,1-4H3,(H,30,32)/t26-/m1/s1
• InChIKey: XOHDYGRQIQYEON-AREMUKBSSA-N
• XLogP: 5.52
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide?

The IUPAC name of 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide (CID 93336950) is 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide.

What is the SMILES notation for 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide?

The canonical SMILES for 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide is CCCNC(=O)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)N(C(=O)C(C)(C)C)CC3)o1.

What is the InChIKey of 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide?

The InChIKey is XOHDYGRQIQYEON-AREMUKBSSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-5-16-30-27(32)25-14-13-23(35-25)19-34-22-12-11-20-15-17-31(28(33)29(2,3)4)26(24(20)18-22)21-9-7-6-8-10-21/h6-14,18,26H,5,15-17,19H2,1-4H3,(H,30,32)/t26-/m1/s1.

What are the key properties of 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide?

5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide has a molecular weight of 474.60 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R)-2-(2,2-dimethylpropanoyl)-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 93336950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).