(2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide

C21H33NO5 — CID 45361345

About (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide

(2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 45361345) has the molecular formula C21H33NO5 and a molecular weight of 379.50 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide
• PubChem CID: 45361345
• Molecular Formula: C21H33NO5
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.24
• IUPAC Name: (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide
• SMILES: COCCNC(=O)[C@@H](C)C1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O
• InChI: InChI=1S/C21H33NO5/c1-13-12-18(27-11-10-26-5)15(3)19-16(13)6-7-17(20(19)23)14(2)21(24)22-8-9-25-4/h12,14,17,20,23H,6-11H2,1-5H3,(H,22,24)/t14-,17?,20+/m0/s1
• InChIKey: OIHCBIQZWLMFOZ-BKCMZVEJSA-N
• XLogP: 2.32
• TPSA: 77.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide?

The IUPAC name of (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide (CID 45361345) is (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide.

What is the SMILES notation for (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide?

The canonical SMILES for (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)[C@@H](C)C1CCc2c(C)cc(OCCOC)c(C)c2[C@@H]1O.

What is the InChIKey of (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide?

The InChIKey is OIHCBIQZWLMFOZ-BKCMZVEJSA-N. The full InChI is InChI=1S/C21H33NO5/c1-13-12-18(27-11-10-26-5)15(3)19-16(13)6-7-17(20(19)23)14(2)21(24)22-8-9-25-4/h12,14,17,20,23H,6-11H2,1-5H3,(H,22,24)/t14-,17?,20+/m0/s1.

What are the key properties of (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide?

(2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 45361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).