4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide

C25H34FNO4 — CID 142673515

About 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide

4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide (PubChem CID 142673515) has the molecular formula C25H34FNO4 and a molecular weight of 431.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
• PubChem CID: 142673515
• Molecular Formula: C25H34FNO4
• Molecular Weight: 431.55 g/mol
• Exact Mass: 431.25
• IUPAC Name: 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
• SMILES: COc1cc(CCNC(=O)C(CCc2ccc(F)cc2)OC(C)C)ccc1OC(C)C
• InChI: InChI=1S/C25H34FNO4/c1-17(2)30-22-12-9-20(16-24(22)29-5)14-15-27-25(28)23(31-18(3)4)13-8-19-6-10-21(26)11-7-19/h6-7,9-12,16-18,23H,8,13-15H2,1-5H3,(H,27,28)
• InChIKey: MEICEIMAYUEMLZ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.55
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide?

The IUPAC name of 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide (CID 142673515) is 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide.

What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide?

The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide is COc1cc(CCNC(=O)C(CCc2ccc(F)cc2)OC(C)C)ccc1OC(C)C.

What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide?

The InChIKey is MEICEIMAYUEMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO4/c1-17(2)30-22-12-9-20(16-24(22)29-5)14-15-27-25(28)23(31-18(3)4)13-8-19-6-10-21(26)11-7-19/h6-7,9-12,16-18,23H,8,13-15H2,1-5H3,(H,27,28).

What are the key properties of 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide?

4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide has a molecular weight of 431.55 g/mol, XLogP of 4.71, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide is sourced from PubChem (CID 142673515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).