N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide

C38H43NO6 — CID 57194165

About N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide

N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide (PubChem CID 57194165) has the molecular formula C38H43NO6 and a molecular weight of 609.76 g/mol. Its IUPAC name is N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide
• PubChem CID: 57194165
• Molecular Formula: C38H43NO6
• Molecular Weight: 609.76 g/mol
• Exact Mass: 609.31
• IUPAC Name: N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide
• SMILES: CCCC(NC(C)=O)(Oc1c(OC)cccc1OC)C1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1
• InChI: InChI=1S/C38H43NO6/c1-5-24-38(39-27(2)40,45-37-33(41-3)20-13-21-34(37)42-4)32-19-12-18-31-30(32)22-23-35(43-25-28-14-8-6-9-15-28)36(31)44-26-29-16-10-7-11-17-29/h6-11,13-17,20-23,32H,5,12,18-19,24-26H2,1-4H3,(H,39,40)
• InChIKey: JFXOVASIOQHCQR-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 75.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.76
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide?

The IUPAC name of N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide (CID 57194165) is N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide.

What is the SMILES notation for N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide?

The canonical SMILES for N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide is CCCC(NC(C)=O)(Oc1c(OC)cccc1OC)C1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1.

What is the InChIKey of N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide?

The InChIKey is JFXOVASIOQHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43NO6/c1-5-24-38(39-27(2)40,45-37-33(41-3)20-13-21-34(37)42-4)32-19-12-18-31-30(32)22-23-35(43-25-28-14-8-6-9-15-28)36(31)44-26-29-16-10-7-11-17-29/h6-11,13-17,20-23,32H,5,12,18-19,24-26H2,1-4H3,(H,39,40).

What are the key properties of N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide?

N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide has a molecular weight of 609.76 g/mol, XLogP of 7.99, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5,6-bis(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2,6-dimethoxyphenoxy)butyl]acetamide is sourced from PubChem (CID 57194165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).