6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride

C26H34ClN3O4 — CID 175165399

About 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride

6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride (PubChem CID 175165399) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
• PubChem CID: 175165399
• Molecular Formula: C26H34ClN3O4
• Molecular Weight: 488.03 g/mol
• Exact Mass: 487.22
• IUPAC Name: 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
• SMILES: CCOc1cc2c(cc1C(=O)NC[C@@H](O)[C@@H]1Cc3ccccc3CN1)CN(CC(C)C)C2=O.Cl
• InChI: InChI=1S/C26H33N3O4.ClH/c1-4-33-24-11-20-19(15-29(26(20)32)14-16(2)3)9-21(24)25(31)28-13-23(30)22-10-17-7-5-6-8-18(17)12-27-22;/h5-9,11,16,22-23,27,30H,4,10,12-15H2,1-3H3,(H,28,31);1H/t22-,23+;/m0./s1
• InChIKey: CFNYDCDTIXCBEF-PEADMDKFSA-N
• XLogP: 2.92
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.03
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride?

The IUPAC name of 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride (CID 175165399) is 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride.

What is the SMILES notation for 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride?

The canonical SMILES for 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride is CCOc1cc2c(cc1C(=O)NC[C@@H](O)[C@@H]1Cc3ccccc3CN1)CN(CC(C)C)C2=O.Cl.

What is the InChIKey of 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride?

The InChIKey is CFNYDCDTIXCBEF-PEADMDKFSA-N. The full InChI is InChI=1S/C26H33N3O4.ClH/c1-4-33-24-11-20-19(15-29(26(20)32)14-16(2)3)9-21(24)25(31)28-13-23(30)22-10-17-7-5-6-8-18(17)12-27-22;/h5-9,11,16,22-23,27,30H,4,10,12-15H2,1-3H3,(H,28,31);1H/t22-,23+;/m0./s1.

What are the key properties of 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride?

6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride has a molecular weight of 488.03 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-(2-methylpropyl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 175165399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).