N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide

C₁₇H₂₆N₂O₂ — CID 110649192

About N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide

N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 110649192) has the molecular formula C₁₇H₂₆N₂O₂ and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
• PubChem CID: 110649192
• Molecular Formula: C₁₇H₂₆N₂O₂
• Molecular Weight: 290.41 g/mol
• Exact Mass: 290.20
• IUPAC Name: N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
• SMILES: CC(C)(C)NC(=O)CCc1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C17H26N2O2/c1-17(2,3)18-16(20)9-6-14-4-7-15(8-5-14)19-10-12-21-13-11-19/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,20)
• InChIKey: TZHAPNWUIKHXJD-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.41
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?

The IUPAC name of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide (CID 110649192) is N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide.

What is the SMILES notation for N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?

The canonical SMILES for N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide is CC(C)(C)NC(=O)CCc1ccc(N2CCOCC2)cc1.

What is the InChIKey of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?

The InChIKey is TZHAPNWUIKHXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)18-16(20)9-6-14-4-7-15(8-5-14)19-10-12-21-13-11-19/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,20).

What are the key properties of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?

N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 110649192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 110649192 — identifiers, structure, computed properties (public domain)

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