(2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide

C30H32N2O3 — CID 93334640

About (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide

(2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide (PubChem CID 93334640) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide
• PubChem CID: 93334640
• Molecular Formula: C30H32N2O3
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.24
• IUPAC Name: (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide
• SMILES: Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)C2CC2)CC3)cc1
• InChI: InChI=1S/C30H32N2O3/c1-19-4-8-23(9-5-19)28-27-18-26(15-12-22(27)16-17-32(28)30(34)24-10-11-24)35-21(3)29(33)31-25-13-6-20(2)7-14-25/h4-9,12-15,18,21,24,28H,10-11,16-17H2,1-3H3,(H,31,33)/t21-,28-/m1/s1
• InChIKey: BOSPZDAFBIHAHC-LYZGTLIUSA-N
• XLogP: 5.59
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide?

The IUPAC name of (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide (CID 93334640) is (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide.

What is the SMILES notation for (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide?

The canonical SMILES for (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)C2CC2)CC3)cc1.

What is the InChIKey of (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide?

The InChIKey is BOSPZDAFBIHAHC-LYZGTLIUSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-19-4-8-23(9-5-19)28-27-18-26(15-12-22(27)16-17-32(28)30(34)24-10-11-24)35-21(3)29(33)31-25-13-6-20(2)7-14-25/h4-9,12-15,18,21,24,28H,10-11,16-17H2,1-3H3,(H,31,33)/t21-,28-/m1/s1.

What are the key properties of (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide?

(2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide has a molecular weight of 468.60 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(1R)-2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 93334640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).