N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide

C17H33FN2O6 — CID 155740440

IUPACN-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCNC(=O)COC(C)C
InChIInChI=1S/C17H33FN2O6/c1-4-16(21)20-11-15(18)12-25-10-9-24-8-7-23-6-5-19-17(22)13-26-14(2)3/h14-15H,4-13H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyWKVSBVHWQFVGHU-UHFFFAOYSA-N
MW380.46 g/mol
LogP0.44
Rot. Bonds17

About N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide

N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 155740440) has the molecular formula C17H33FN2O6 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID155740440
Molecular FormulaC17H33FN2O6
Molecular Weight380.46 g/mol
Exact Mass380.23
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide
SMILESCCC(=O)NCC(F)COCCOCCOCCNC(=O)COC(C)C
InChIInChI=1S/C17H33FN2O6/c1-4-16(21)20-11-15(18)12-25-10-9-24-8-7-23-6-5-19-17(22)13-26-14(2)3/h14-15H,4-13H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyWKVSBVHWQFVGHU-UHFFFAOYSA-N
XLogP0.44
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide (CID 155740440) is N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide is CCC(=O)NCC(F)COCCOCCOCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is WKVSBVHWQFVGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2O6/c1-4-16(21)20-11-15(18)12-25-10-9-24-8-7-23-6-5-19-17(22)13-26-14(2)3/h14-15H,4-13H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide?
N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 380.46 g/mol, XLogP of 0.44, 17 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 155740440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).