N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide

C₁₅H₂₃NO₃ — CID 63364873

About N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide

N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (PubChem CID 63364873) has the molecular formula C₁₅H₂₃NO₃ and a molecular weight of 265.35 g/mol. Its IUPAC name is N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide.

Molecular Properties

• Compound Name: N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
• PubChem CID: 63364873
• Molecular Formula: C₁₅H₂₃NO₃
• Molecular Weight: 265.35 g/mol
• Exact Mass: 265.17
• IUPAC Name: N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide
• SMILES: CCCCNC(=O)C(C)Oc1ccccc1[C@@H](C)O
• InChI: InChI=1S/C15H23NO3/c1-4-5-10-16-15(18)12(3)19-14-9-7-6-8-13(14)11(2)17/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,16,18)/t11-,12?/m1/s1
• InChIKey: MNGUZWRZCRNLHI-JHJMLUEUSA-N
• XLogP: 2.42
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.35
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?

The IUPAC name of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (CID 63364873) is N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide.

What is the SMILES notation for N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?

The canonical SMILES for N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide is CCCCNC(=O)C(C)Oc1ccccc1[C@@H](C)O.

What is the InChIKey of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?

The InChIKey is MNGUZWRZCRNLHI-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-10-16-15(18)12(3)19-14-9-7-6-8-13(14)11(2)17/h6-9,11-12,17H,4-5,10H2,1-3H3,(H,16,18)/t11-,12?/m1/s1.

What are the key properties of N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide?

N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide is sourced from PubChem (CID 63364873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63364873 — identifiers, structure, computed properties (public domain)

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