N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide

C29H31NO2 — CID 18989925

About N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide

N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide (PubChem CID 18989925) has the molecular formula C29H31NO2 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide.

Molecular Properties

• Compound Name: N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
• PubChem CID: 18989925
• Molecular Formula: C29H31NO2
• Molecular Weight: 425.57 g/mol
• Exact Mass: 425.24
• IUPAC Name: N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
• SMILES: CC1(C)CCC(C)(C)c2cc(/C=C/c3ccc(C(=O)Nc4ccc(O)cc4)cc3)ccc21
• InChI: InChI=1S/C29H31NO2/c1-28(2)17-18-29(3,4)26-19-21(9-16-25(26)28)6-5-20-7-10-22(11-8-20)27(32)30-23-12-14-24(31)15-13-23/h5-16,19,31H,17-18H2,1-4H3,(H,30,32)/b6-5+
• InChIKey: XCNKZNGYXKNHAI-AATRIKPKSA-N
• XLogP: 7.16
• TPSA: 49.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.57
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?

The IUPAC name of N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide (CID 18989925) is N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide.

What is the SMILES notation for N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?

The canonical SMILES for N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide is CC1(C)CCC(C)(C)c2cc(/C=C/c3ccc(C(=O)Nc4ccc(O)cc4)cc3)ccc21.

What is the InChIKey of N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?

The InChIKey is XCNKZNGYXKNHAI-AATRIKPKSA-N. The full InChI is InChI=1S/C29H31NO2/c1-28(2)17-18-29(3,4)26-19-21(9-16-25(26)28)6-5-20-7-10-22(11-8-20)27(32)30-23-12-14-24(31)15-13-23/h5-16,19,31H,17-18H2,1-4H3,(H,30,32)/b6-5+.

What are the key properties of N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide?

N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide has a molecular weight of 425.57 g/mol, XLogP of 7.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide is sourced from PubChem (CID 18989925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).