N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide

C₁₃H₂₂N₂O₂ — CID 81400011

About N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide

N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (PubChem CID 81400011) has the molecular formula C₁₃H₂₂N₂O₂ and a molecular weight of 238.33 g/mol. Its IUPAC name is N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.

Molecular Properties

• Compound Name: N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
• PubChem CID: 81400011
• Molecular Formula: C₁₃H₂₂N₂O₂
• Molecular Weight: 238.33 g/mol
• Exact Mass: 238.17
• IUPAC Name: N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
• SMILES: CCCCNC(=O)C(C)N[C@H](C)c1ccco1
• InChI: InChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)11(3)15-10(2)12-7-6-9-17-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,16)/t10-,11?/m1/s1
• InChIKey: HCYGSNSORSPRCH-NFJWQWPMSA-N
• XLogP: 2.23
• TPSA: 54.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.33
LogP ≤ 5	2.23
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-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?

The IUPAC name of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide (CID 81400011) is N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide.

What is the SMILES notation for N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?

The canonical SMILES for N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is CCCCNC(=O)C(C)N[C@H](C)c1ccco1.

What is the InChIKey of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?

The InChIKey is HCYGSNSORSPRCH-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-8-14-13(16)11(3)15-10(2)12-7-6-9-17-12/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,16)/t10-,11?/m1/s1.

What are the key properties of N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide?

N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide has a molecular weight of 238.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide is sourced from PubChem (CID 81400011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81400011 — identifiers, structure, computed properties (public domain)

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