N-(2-amino-2-phenylethyl)pentanamide

C₁₃H₂₀N₂O — CID 63120587

About N-(2-amino-2-phenylethyl)pentanamide

N-(2-amino-2-phenylethyl)pentanamide (PubChem CID 63120587) has the molecular formula C₁₃H₂₀N₂O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)pentanamide.

Molecular Properties

• Compound Name: N-(2-amino-2-phenylethyl)pentanamide
• PubChem CID: 63120587
• Molecular Formula: C₁₃H₂₀N₂O
• Molecular Weight: 220.32 g/mol
• Exact Mass: 220.16
• IUPAC Name: N-(2-amino-2-phenylethyl)pentanamide
• SMILES: CCCCC(=O)NCC(N)c1ccccc1
• InChI: InChI=1S/C13H20N2O/c1-2-3-9-13(16)15-10-12(14)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,14H2,1H3,(H,15,16)
• InChIKey: GDKGPBCGIITILO-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 55.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.32
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)pentanamide?

The IUPAC name of N-(2-amino-2-phenylethyl)pentanamide (CID 63120587) is N-(2-amino-2-phenylethyl)pentanamide.

What is the SMILES notation for N-(2-amino-2-phenylethyl)pentanamide?

The canonical SMILES for N-(2-amino-2-phenylethyl)pentanamide is CCCCC(=O)NCC(N)c1ccccc1.

What is the InChIKey of N-(2-amino-2-phenylethyl)pentanamide?

The InChIKey is GDKGPBCGIITILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-9-13(16)15-10-12(14)11-7-5-4-6-8-11/h4-8,12H,2-3,9-10,14H2,1H3,(H,15,16).

What are the key properties of N-(2-amino-2-phenylethyl)pentanamide?

N-(2-amino-2-phenylethyl)pentanamide has a molecular weight of 220.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-phenylethyl)pentanamide is sourced from PubChem (CID 63120587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63120587 — identifiers, structure, computed properties (public domain)

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