potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide

C26H43KN2O7 — CID 171843475

About potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide

potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide (PubChem CID 171843475) has the molecular formula C26H43KN2O7 and a molecular weight of 534.74 g/mol. Its IUPAC name is potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide.

Molecular Properties

• Compound Name: potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
• PubChem CID: 171843475
• Molecular Formula: C26H43KN2O7
• Molecular Weight: 534.74 g/mol
• Exact Mass: 534.27
• IUPAC Name: potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide
• SMILES: [CH2-]C(CC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc1ccc(OC)cc1.[K+]
• InChI: InChI=1S/C26H43N2O7.K/c1-4-22(2)28-26(30)12-14-32-16-18-34-20-21-35-19-17-33-15-13-27-25(29)7-5-6-23-8-10-24(31-3)11-9-23;/h8-11,22H,2,4-7,12-21H2,1,3H3,(H,27,29)(H,28,30);/q-1;+1
• InChIKey: WWQYBMVVSQHMML-UHFFFAOYSA-N
• XLogP: -0.68
• TPSA: 104.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.74
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?

The IUPAC name of potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide (CID 171843475) is potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide.

What is the SMILES notation for potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?

The canonical SMILES for potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide is [CH2-]C(CC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc1ccc(OC)cc1.[K+].

What is the InChIKey of potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?

The InChIKey is WWQYBMVVSQHMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N2O7.K/c1-4-22(2)28-26(30)12-14-32-16-18-34-20-21-35-19-17-33-15-13-27-25(29)7-5-6-23-8-10-24(31-3)11-9-23;/h8-11,22H,2,4-7,12-21H2,1,3H3,(H,27,29)(H,28,30);/q-1;+1.

What are the key properties of potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide?

potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide has a molecular weight of 534.74 g/mol, XLogP of -0.68, 22 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for potassium N-[2-[2-[2-[2-[3-(butan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 171843475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).