5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide

C31H34N2O5 — CID 93336933

About 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide

5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide (PubChem CID 93336933) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
• PubChem CID: 93336933
• Molecular Formula: C31H34N2O5
• Molecular Weight: 514.62 g/mol
• Exact Mass: 514.25
• IUPAC Name: 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
• SMILES: Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NC[C@H]5CCCO5)o4)ccc3CCN2C(=O)C2CC2)cc1
• InChI: InChI=1S/C31H34N2O5/c1-20-4-6-22(7-5-20)29-27-17-24(11-10-21(27)14-15-33(29)31(35)23-8-9-23)37-19-26-12-13-28(38-26)30(34)32-18-25-3-2-16-36-25/h4-7,10-13,17,23,25,29H,2-3,8-9,14-16,18-19H2,1H3,(H,32,34)/t25-,29-/m1/s1
• InChIKey: MTLNGMYBBZYVAQ-VAVYLYDRSA-N
• XLogP: 4.96
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.62
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?

The IUPAC name of 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide (CID 93336933) is 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?

The canonical SMILES for 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide is Cc1ccc([C@@H]2c3cc(OCc4ccc(C(=O)NC[C@H]5CCCO5)o4)ccc3CCN2C(=O)C2CC2)cc1.

What is the InChIKey of 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?

The InChIKey is MTLNGMYBBZYVAQ-VAVYLYDRSA-N. The full InChI is InChI=1S/C31H34N2O5/c1-20-4-6-22(7-5-20)29-27-17-24(11-10-21(27)14-15-33(29)31(35)23-8-9-23)37-19-26-12-13-28(38-26)30(34)32-18-25-3-2-16-36-25/h4-7,10-13,17,23,25,29H,2-3,8-9,14-16,18-19H2,1H3,(H,32,34)/t25-,29-/m1/s1.

What are the key properties of 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide?

5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide has a molecular weight of 514.62 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 93336933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).