N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide

C15H29FN2O4 — CID 170442191

IUPACN-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H29FN2O4/c1-11(2)14(19)17-5-6-21-7-8-22-10-13(16)9-18-15(20)12(3)4/h11-13H,5-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyHSSHTQIPOVESFR-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.90
Rot. Bonds12

About N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide

N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide (PubChem CID 170442191) has the molecular formula C15H29FN2O4 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
PubChem CID170442191
Molecular FormulaC15H29FN2O4
Molecular Weight320.41 g/mol
Exact Mass320.21
IUPAC NameN-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCOCCOCC(F)CNC(=O)C(C)C
InChIInChI=1S/C15H29FN2O4/c1-11(2)14(19)17-5-6-21-7-8-22-10-13(16)9-18-15(20)12(3)4/h11-13H,5-10H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyHSSHTQIPOVESFR-UHFFFAOYSA-N
XLogP0.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
ethane;N-[2-fluoro-3-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide
CID 153390518
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-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
CID 155706815
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
N-[2-fluoro-4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]butyl]-2-methylpropanamide
CID 166118081
N-[2-fluoro-3-[2-[2-[2-[(2-methoxyacetyl)amino]ethoxy]ethoxy]ethoxy]propyl]-2-methylbutanamide
CID 156861015
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]carbamoyl fluoride
CID 155455184
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide (CID 170442191) is N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCOCCOCC(F)CNC(=O)C(C)C.
What is the InChIKey of N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide?
The InChIKey is HSSHTQIPOVESFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O4/c1-11(2)14(19)17-5-6-21-7-8-22-10-13(16)9-18-15(20)12(3)4/h11-13H,5-10H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide?
N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide has a molecular weight of 320.41 g/mol, XLogP of 0.90, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide is sourced from PubChem (CID 170442191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).