N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide

C26H28ClN3O2 — CID 126381618

About N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide

N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide (PubChem CID 126381618) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide.

Molecular Properties

• Compound Name: N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide
• PubChem CID: 126381618
• Molecular Formula: C26H28ClN3O2
• Molecular Weight: 449.98 g/mol
• Exact Mass: 449.19
• IUPAC Name: N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide
• SMILES: O=C(CNC1CCCCC1)N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12
• InChI: InChI=1S/C26H28ClN3O2/c27-21-13-10-19(11-14-21)18-32-25-15-12-20-6-4-5-9-23(20)24(25)16-29-30-26(31)17-28-22-7-2-1-3-8-22/h4-6,9-16,22,28H,1-3,7-8,17-18H2,(H,30,31)/b29-16-
• InChIKey: FLEBBKYFQQWAGU-MWLSYYOVSA-N
• XLogP: 5.44
• TPSA: 62.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.98
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide?

The IUPAC name of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide (CID 126381618) is N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide.

What is the SMILES notation for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide?

The canonical SMILES for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide is O=C(CNC1CCCCC1)N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12.

What is the InChIKey of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide?

The InChIKey is FLEBBKYFQQWAGU-MWLSYYOVSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-21-13-10-19(11-14-21)18-32-25-15-12-20-6-4-5-9-23(20)24(25)16-29-30-26(31)17-28-22-7-2-1-3-8-22/h4-6,9-16,22,28H,1-3,7-8,17-18H2,(H,30,31)/b29-16-.

What are the key properties of N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide?

N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide has a molecular weight of 449.98 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(cyclohexylamino)acetamide is sourced from PubChem (CID 126381618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).