(1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C25H26N2O2 — CID 92768400

About (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 92768400) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
• PubChem CID: 92768400
• Molecular Formula: C25H26N2O2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.20
• IUPAC Name: (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)c(C)c1
• InChI: InChI=1S/C25H26N2O2/c1-17-8-10-20(11-9-17)24-22-7-5-4-6-19(22)14-15-27(24)25(28)26-23-13-12-21(29-3)16-18(23)2/h4-13,16,24H,14-15H2,1-3H3,(H,26,28)/t24-/m1/s1
• InChIKey: ARIHYMJXDZRNOW-XMMPIXPASA-N
• XLogP: 5.49
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The IUPAC name of (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 92768400) is (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

What is the SMILES notation for (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The canonical SMILES for (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2c2ccc(C)cc2)c(C)c1.

What is the InChIKey of (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?

The InChIKey is ARIHYMJXDZRNOW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17-8-10-20(11-9-17)24-22-7-5-4-6-19(22)14-15-27(24)25(28)26-23-13-12-21(29-3)16-18(23)2/h4-13,16,24H,14-15H2,1-3H3,(H,26,28)/t24-/m1/s1.

What are the key properties of (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?

(1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-(4-methoxy-2-methylphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 92768400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).