N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide

C14H27FN2O5 — CID 138727791

IUPACN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C
InChIInChI=1S/C14H27FN2O5/c1-11(2)22-10-14(19)16-4-5-20-6-7-21-9-13(15)8-17-12(3)18/h11,13H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXSPHKKHLVHQFPL-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.04
Rot. Bonds13

About N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide

N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 138727791) has the molecular formula C14H27FN2O5 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID138727791
Molecular FormulaC14H27FN2O5
Molecular Weight322.38 g/mol
Exact Mass322.19
IUPAC NameN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCOCCNC(=O)COC(C)C
InChIInChI=1S/C14H27FN2O5/c1-11(2)22-10-14(19)16-4-5-20-6-7-21-9-13(15)8-17-12(3)18/h11,13H,4-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyXSPHKKHLVHQFPL-UHFFFAOYSA-N
XLogP0.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 138727791) is N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide is CC(=O)NCC(F)COCCOCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is XSPHKKHLVHQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O5/c1-11(2)22-10-14(19)16-4-5-20-6-7-21-9-13(15)8-17-12(3)18/h11,13H,4-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 322.38 g/mol, XLogP of 0.04, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 138727791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).