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

C11H21FN2O5 — CID 156533326

IUPACN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide
SMILESCC(=O)NCC(F)COCCOCCNC(=O)CO
InChIInChI=1S/C11H21FN2O5/c1-9(16)14-6-10(12)8-19-5-4-18-3-2-13-11(17)7-15/h10,15H,2-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyQUBKZWYZWYWVJI-UHFFFAOYSA-N
MW280.30 g/mol
LogP-1.40
Rot. Bonds11

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

N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide (PubChem CID 156533326) has the molecular formula C11H21FN2O5 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide
PubChem CID156533326
Molecular FormulaC11H21FN2O5
Molecular Weight280.30 g/mol
Exact Mass280.14
IUPAC NameN-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide
SMILESCC(=O)NCC(F)COCCOCCNC(=O)CO
InChIInChI=1S/C11H21FN2O5/c1-9(16)14-6-10(12)8-19-5-4-18-3-2-13-11(17)7-15/h10,15H,2-8H2,1H3,(H,13,17)(H,14,16)
InChIKeyQUBKZWYZWYWVJI-UHFFFAOYSA-N
XLogP-1.40
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-{2-[2-(lactoylamino)ethoxy]ethoxy}ethyl)propanamide
CID 3238714
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[3-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
CID 138727787
N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 138727791
N-[3-[2-[2-[1-(ethylamino)propan-2-yloxy]ethoxy]ethoxy]-2-fluoropropyl]acetamide
CID 138728501
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]propanamide
CID 142615855
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
CID 142616054
N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
CID 142616111
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]acetamide
CID 142616140
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]acetamide
CID 142616230
N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 142616629
N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]propyl]acetamide
CID 142616700

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide (CID 156533326) is N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide is CC(=O)NCC(F)COCCOCCNC(=O)CO.
What is the InChIKey of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide?
The InChIKey is QUBKZWYZWYWVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O5/c1-9(16)14-6-10(12)8-19-5-4-18-3-2-13-11(17)7-15/h10,15H,2-8H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide?
N-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethyl]-2-hydroxyacetamide has a molecular weight of 280.30 g/mol, XLogP of -1.40, 11 rotatable bonds, 3 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-hydroxyacetamide is sourced from PubChem (CID 156533326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).