N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide

C₁₄H₂₉N₂O₃P — CID 157048781

About N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide

N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide (PubChem CID 157048781) has the molecular formula C₁₄H₂₉N₂O₃P and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide.

Molecular Properties

• Compound Name: N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
• PubChem CID: 157048781
• Molecular Formula: C₁₄H₂₉N₂O₃P
• Molecular Weight: 304.37 g/mol
• Exact Mass: 304.19
• IUPAC Name: N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
• SMILES: CC(C)OCC(=O)NCCCCCCCCNC(=O)P
• InChI: InChI=1S/C14H29N2O3P/c1-12(2)19-11-13(17)15-9-7-5-3-4-6-8-10-16-14(18)20/h12H,3-11,20H2,1-2H3,(H,15,17)(H,16,18)
• InChIKey: XAWCTYOYUXUHQH-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.37
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?

The IUPAC name of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide (CID 157048781) is N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide.

What is the SMILES notation for N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?

The canonical SMILES for N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NCCCCCCCCNC(=O)P.

What is the InChIKey of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?

The InChIKey is XAWCTYOYUXUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O3P/c1-12(2)19-11-13(17)15-9-7-5-3-4-6-8-10-16-14(18)20/h12H,3-11,20H2,1-2H3,(H,15,17)(H,16,18).

What are the key properties of N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide?

N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.45, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 157048781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157048781 — identifiers, structure, computed properties (public domain)

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