N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C33H29N3O3 — CID 70033785

About N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 70033785) has the molecular formula C33H29N3O3 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 70033785
• Molecular Formula: C33H29N3O3
• Molecular Weight: 515.61 g/mol
• Exact Mass: 515.22
• IUPAC Name: N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccn1)C1c2ccccc2CCC1Cc1ccccc1
• InChI: InChI=1S/C33H29N3O3/c37-30(22-36-32(38)28-15-6-7-16-29(28)33(36)39)35(21-26-13-8-9-19-34-26)31-25(20-23-10-2-1-3-11-23)18-17-24-12-4-5-14-27(24)31/h1-16,19,25,31H,17-18,20-22H2
• InChIKey: VJMGYHFYAJWSGZ-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 70.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.61
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 70033785) is N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccn1)C1c2ccccc2CCC1Cc1ccccc1.

What is the InChIKey of N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is VJMGYHFYAJWSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O3/c37-30(22-36-32(38)28-15-6-7-16-29(28)33(36)39)35(21-26-13-8-9-19-34-26)31-25(20-23-10-2-1-3-11-23)18-17-24-12-4-5-14-27(24)31/h1-16,19,25,31H,17-18,20-22H2.

What are the key properties of N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 515.61 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 70033785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).