N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide

C14H27FN2O5 — CID 142616629

IUPACN-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCOCC(=O)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C14H27FN2O5/c1-11(2)14(19)17-8-12(15)9-22-7-6-21-5-4-16-13(18)10-20-3/h11-12H,4-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPTVGVXZDYBYECP-UHFFFAOYSA-N
MW322.38 g/mol
LogP-0.11
Rot. Bonds13

About N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide

N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide (PubChem CID 142616629) has the molecular formula C14H27FN2O5 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
PubChem CID142616629
Molecular FormulaC14H27FN2O5
Molecular Weight322.38 g/mol
Exact Mass322.19
IUPAC NameN-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide
SMILESCOCC(=O)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C14H27FN2O5/c1-11(2)14(19)17-8-12(15)9-22-7-6-21-5-4-16-13(18)10-20-3/h11-12H,4-10H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPTVGVXZDYBYECP-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
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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Related Compounds

1,8-Dioxa-4,11-diazacyclotetradecane-3,10-dione
CID 23330011
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
CID 88856967
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
3-fluoro-N-[2-(2-propoxyethoxy)ethyl]propanamide
CID 135199615
N-[2-fluoro-3-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138726925
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727026
N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727027
N-[2-fluoro-3-methyl-3-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727031
N-[3-[2-[2-[2-[2-(ethylamino)ethoxy]ethylamino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-2-methylpropanamide
CID 138727075
N-[3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 138727241
N-[2-fluoro-3-methyl-3-[2-[2-(methylamino)ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 138727262
N-[2-fluoro-3-[2-[2-[2-[(2-propan-2-yloxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 138727679

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide (CID 142616629) is N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide is COCC(=O)NCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
The InChIKey is PTVGVXZDYBYECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O5/c1-11(2)14(19)17-8-12(15)9-22-7-6-21-5-4-16-13(18)10-20-3/h11-12H,4-10H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide?
N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide has a molecular weight of 322.38 g/mol, XLogP of -0.11, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]propyl]-2-methylpropanamide is sourced from PubChem (CID 142616629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).