5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate

C₂₁H₂₃NO₃ — CID 171768588

About 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate

5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate (PubChem CID 171768588) has the molecular formula C₂₁H₂₃NO₃ and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate.

Molecular Properties

• Compound Name: 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
• PubChem CID: 171768588
• Molecular Formula: C₂₁H₂₃NO₃
• Molecular Weight: 337.42 g/mol
• Exact Mass: 337.17
• IUPAC Name: 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate
• SMILES: C=CC(=O)OCCCCCNC(=O)c1ccccc1-c1ccccc1
• InChI: InChI=1S/C21H23NO3/c1-2-20(23)25-16-10-4-9-15-22-21(24)19-14-8-7-13-18(19)17-11-5-3-6-12-17/h2-3,5-8,11-14H,1,4,9-10,15-16H2,(H,22,24)
• InChIKey: MCJIEMCDOFYOLY-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.42
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?

The IUPAC name of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate (CID 171768588) is 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate.

What is the SMILES notation for 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?

The canonical SMILES for 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate is C=CC(=O)OCCCCCNC(=O)c1ccccc1-c1ccccc1.

What is the InChIKey of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?

The InChIKey is MCJIEMCDOFYOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-20(23)25-16-10-4-9-15-22-21(24)19-14-8-7-13-18(19)17-11-5-3-6-12-17/h2-3,5-8,11-14H,1,4,9-10,15-16H2,(H,22,24).

What are the key properties of 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate?

5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate has a molecular weight of 337.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-phenylbenzoyl)amino]pentyl prop-2-enoate is sourced from PubChem (CID 171768588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171768588 — identifiers, structure, computed properties (public domain)

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