N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide

C₂₀H₁₈N₂O — CID 162526691

About N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide

N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide (PubChem CID 162526691) has the molecular formula C₂₀H₁₈N₂O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
• PubChem CID: 162526691
• Molecular Formula: C₂₀H₁₈N₂O
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.14
• IUPAC Name: N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1
• InChI: InChI=1S/C20H18N2O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15/h3-13,21H,1H2,2H3,(H,22,23)
• InChIKey: WQASPGCKORWXEH-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide (CID 162526691) is N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1.

What is the InChIKey of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?

The InChIKey is WQASPGCKORWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15/h3-13,21H,1H2,2H3,(H,22,23).

What are the key properties of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?

N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide has a molecular weight of 302.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162526691 — identifiers, structure, computed properties (public domain)

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