(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide

C₁₈H₂₂N₂O₂ — CID 70078273

About (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide

(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide (PubChem CID 70078273) has the molecular formula C₁₈H₂₂N₂O₂ and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
• PubChem CID: 70078273
• Molecular Formula: C₁₈H₂₂N₂O₂
• Molecular Weight: 298.39 g/mol
• Exact Mass: 298.17
• IUPAC Name: (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
• SMILES: CC(Oc1ccc(CN[C@@H](C)C(N)=O)cc1)c1ccccc1
• InChI: InChI=1S/C18H22N2O2/c1-13(18(19)21)20-12-15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16/h3-11,13-14,20H,12H2,1-2H3,(H2,19,21)/t13-,14?/m0/s1
• InChIKey: FSHJUUGBBILVBO-LSLKUGRBSA-N
• XLogP: 2.79
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.39
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?

The IUPAC name of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide (CID 70078273) is (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide.

What is the SMILES notation for (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?

The canonical SMILES for (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide is CC(Oc1ccc(CN[C@@H](C)C(N)=O)cc1)c1ccccc1.

What is the InChIKey of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?

The InChIKey is FSHJUUGBBILVBO-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(18(19)21)20-12-15-8-10-17(11-9-15)22-14(2)16-6-4-3-5-7-16/h3-11,13-14,20H,12H2,1-2H3,(H2,19,21)/t13-,14?/m0/s1.

What are the key properties of (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide?

(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 70078273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 70078273 — identifiers, structure, computed properties (public domain)

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