3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide

C₁₅H₂₂N₂O₂ — CID 81092038

About 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide

3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide (PubChem CID 81092038) has the molecular formula C₁₅H₂₂N₂O₂ and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide.

Molecular Properties

• Compound Name: 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
• PubChem CID: 81092038
• Molecular Formula: C₁₅H₂₂N₂O₂
• Molecular Weight: 262.35 g/mol
• Exact Mass: 262.17
• IUPAC Name: 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
• SMILES: COc1cc(N)cc(C(=O)NC(C)C2CCCC2)c1
• InChI: InChI=1S/C15H22N2O2/c1-10(11-5-3-4-6-11)17-15(18)12-7-13(16)9-14(8-12)19-2/h7-11H,3-6,16H2,1-2H3,(H,17,18)
• InChIKey: CLGKJUJHCXNTSO-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 64.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.35
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide?

The IUPAC name of 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide (CID 81092038) is 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide.

What is the SMILES notation for 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide?

The canonical SMILES for 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)NC(C)C2CCCC2)c1.

What is the InChIKey of 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide?

The InChIKey is CLGKJUJHCXNTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(11-5-3-4-6-11)17-15(18)12-7-13(16)9-14(8-12)19-2/h7-11H,3-6,16H2,1-2H3,(H,17,18).

What are the key properties of 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide?

3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide is sourced from PubChem (CID 81092038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81092038 — identifiers, structure, computed properties (public domain)

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