N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide

C35H29N3O5 — CID 159793336

About N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide

N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide (PubChem CID 159793336) has the molecular formula C35H29N3O5 and a molecular weight of 571.63 g/mol. Its IUPAC name is N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide
• PubChem CID: 159793336
• Molecular Formula: C35H29N3O5
• Molecular Weight: 571.63 g/mol
• Exact Mass: 571.21
• IUPAC Name: N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide
• SMILES: C=Nc1cccc2ccc(O)c(-c3c(O)ccc4cccc(NC(C)=O)c34)c12.CC(=O)Nc1cccc2ccc(O)cc12
• InChI: InChI=1S/C23H18N2O3.C12H11NO2/c1-13(26)25-17-8-4-6-15-10-12-19(28)23(21(15)17)22-18(27)11-9-14-5-3-7-16(24-2)20(14)22;1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h3-12,27-28H,2H2,1H3,(H,25,26);2-7,15H,1H3,(H,13,14)
• InChIKey: NIVSIMAVTNKNAW-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 131.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.63
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide?

The IUPAC name of N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide (CID 159793336) is N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide.

What is the SMILES notation for N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide?

The canonical SMILES for N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide is C=Nc1cccc2ccc(O)c(-c3c(O)ccc4cccc(NC(C)=O)c34)c12.CC(=O)Nc1cccc2ccc(O)cc12.

What is the InChIKey of N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide?

The InChIKey is NIVSIMAVTNKNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3.C12H11NO2/c1-13(26)25-17-8-4-6-15-10-12-19(28)23(21(15)17)22-18(27)11-9-14-5-3-7-16(24-2)20(14)22;1-8(14)13-12-4-2-3-9-5-6-10(15)7-11(9)12/h3-12,27-28H,2H2,1H3,(H,25,26);2-7,15H,1H3,(H,13,14).

What are the key properties of N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide?

N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide has a molecular weight of 571.63 g/mol, XLogP of 7.87, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-hydroxy-8-[2-hydroxy-8-(methylideneamino)naphthalen-1-yl]naphthalen-1-yl]acetamide;N-(7-hydroxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 159793336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).