2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium

C14H28FN2O4Y- — CID 155706815

IUPAC2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
SMILESCC(C[NH-])OCCOCCOCC(F)CNC(=O)C(C)C.[Y]
InChIInChI=1S/C14H28FN2O4.Y/c1-11(2)14(18)17-9-13(15)10-20-5-4-19-6-7-21-12(3)8-16;/h11-13,16H,4-10H2,1-3H3,(H,17,18);/q-1;
InChIKeyUHCAZEUGANRKSU-UHFFFAOYSA-N
MW396.29 g/mol
LogP1.58
Rot. Bonds13

About 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium

2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium (PubChem CID 155706815) has the molecular formula C14H28FN2O4Y- and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium.

Molecular Properties

Compound Name2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
PubChem CID155706815
Molecular FormulaC14H28FN2O4Y-
Molecular Weight396.29 g/mol
Exact Mass396.11
IUPAC Name2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium
SMILESCC(C[NH-])OCCOCCOCC(F)CNC(=O)C(C)C.[Y]
InChIInChI=1S/C14H28FN2O4.Y/c1-11(2)14(18)17-9-13(15)10-20-5-4-19-6-7-21-12(3)8-16;/h11-13,16H,4-10H2,1-3H3,(H,17,18);/q-1;
InChIKeyUHCAZEUGANRKSU-UHFFFAOYSA-N
XLogP1.58
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethyl]-2-methylpropanamide
CID 170442191
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-(1-aminopropan-2-yloxy)ethoxy]ethoxy]-2-fluoropropyl]-2-methylbutanamide
CID 169213803
N-[3-[2-[2-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-fluoropropyl]-2-methylpropanamide
CID 147243604
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
CID 155739438
N-[2-fluoro-3-[3-[3-[(2-propan-2-yloxyacetyl)amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 155459731
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-3-[2-[2-[1-(methylsulfanylamino)propan-2-yloxy]ethoxy]ethoxy]propyl]propanamide
CID 170250557
N-[2-fluoro-3-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]propyl]carbamoyl fluoride
CID 155455184
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium?
The IUPAC name of 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium (CID 155706815) is 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium.
What is the SMILES notation for 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium?
The canonical SMILES for 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium is CC(C[NH-])OCCOCCOCC(F)CNC(=O)C(C)C.[Y].
What is the InChIKey of 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium?
The InChIKey is UHCAZEUGANRKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN2O4.Y/c1-11(2)14(18)17-9-13(15)10-20-5-4-19-6-7-21-12(3)8-16;/h11-13,16H,4-10H2,1-3H3,(H,17,18);/q-1;.
What are the key properties of 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium?
2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium has a molecular weight of 396.29 g/mol, XLogP of 1.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-fluoro-3-(2-methylpropanoylamino)propoxy]ethoxy]ethoxy]propylazanide;yttrium is sourced from PubChem (CID 155706815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).