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

C18H35FN2O7 — CID 142616111

IUPACN-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCOCCOCCOCCNC(=O)COC(C)C
InChIInChI=1S/C18H35FN2O7/c1-15(2)28-14-18(23)20-4-5-24-6-7-25-8-9-26-10-11-27-13-17(19)12-21-16(3)22/h15,17H,4-14H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKULQLSPBPLVQLR-UHFFFAOYSA-N
MW410.48 g/mol
LogP0.07
Rot. Bonds19

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

N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (PubChem CID 142616111) has the molecular formula C18H35FN2O7 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
PubChem CID142616111
Molecular FormulaC18H35FN2O7
Molecular Weight410.48 g/mol
Exact Mass410.24
IUPAC NameN-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide
SMILESCC(=O)NCC(F)COCCOCCOCCOCCNC(=O)COC(C)C
InChIInChI=1S/C18H35FN2O7/c1-15(2)28-14-18(23)20-4-5-24-6-7-25-8-9-26-10-11-27-13-17(19)12-21-16(3)22/h15,17H,4-14H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKULQLSPBPLVQLR-UHFFFAOYSA-N
XLogP0.07
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]acetamide
CID 59533811
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
CID 88856969
2,3,3,3-tetrafluoro-N-[2-[2-[[2-fluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl]amino]ethoxy]ethyl]-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propanamide
CID 132175646
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 138460813
N-[3-[3-(tert-butylamino)propoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 138460814
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]-2-fluoropropyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 138467171
N-[3-[3-(tert-butylamino)-2-fluoropropoxy]propyl]-2-propan-2-yloxyacetamide
CID 138467265
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727027
N-[2-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-heptan-4-yloxyacetamide
CID 138727030
N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727031
N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727679
N-[2-fluoro-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727681

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide (CID 142616111) is N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is CC(=O)NCC(F)COCCOCCOCCOCCNC(=O)COC(C)C.
What is the InChIKey of N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
The InChIKey is KULQLSPBPLVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O7/c1-15(2)28-14-18(23)20-4-5-24-6-7-25-8-9-26-10-11-27-13-17(19)12-21-16(3)22/h15,17H,4-14H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide?
N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide has a molecular weight of 410.48 g/mol, XLogP of 0.07, 19 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(3-acetamido-2-fluoropropoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 142616111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).