N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium

C19H37FN2O8Y — CID 155739438

IUPACN-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
SMILESCC(C)C(=O)NCC(F)COCCOCCOCCOCCOCCNC(=O)CO.[Y]
InChIInChI=1S/C19H37FN2O8.Y/c1-16(2)19(25)22-13-17(20)15-30-12-11-29-10-9-28-8-7-27-6-5-26-4-3-21-18(24)14-23;/h16-17,23H,3-15H2,1-2H3,(H,21,24)(H,22,25);
InChIKeyREYILWJYIBIIOC-UHFFFAOYSA-N
MW529.42 g/mol
LogP-0.71
Rot. Bonds21

About N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium

N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium (PubChem CID 155739438) has the molecular formula C19H37FN2O8Y and a molecular weight of 529.42 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
PubChem CID155739438
Molecular FormulaC19H37FN2O8Y
Molecular Weight529.42 g/mol
Exact Mass529.16
IUPAC NameN-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium
SMILESCC(C)C(=O)NCC(F)COCCOCCOCCOCCOCCNC(=O)CO.[Y]
InChIInChI=1S/C19H37FN2O8.Y/c1-16(2)19(25)22-13-17(20)15-30-12-11-29-10-9-28-8-7-27-6-5-26-4-3-21-18(24)14-23;/h16-17,23H,3-15H2,1-2H3,(H,21,24)(H,22,25);
InChIKeyREYILWJYIBIIOC-UHFFFAOYSA-N
XLogP-0.71
TPSA124.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.42
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium?
The IUPAC name of N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium (CID 155739438) is N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium.
What is the SMILES notation for N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium?
The canonical SMILES for N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium is CC(C)C(=O)NCC(F)COCCOCCOCCOCCOCCNC(=O)CO.[Y].
What is the InChIKey of N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium?
The InChIKey is REYILWJYIBIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2O8.Y/c1-16(2)19(25)22-13-17(20)15-30-12-11-29-10-9-28-8-7-27-6-5-26-4-3-21-18(24)14-23;/h16-17,23H,3-15H2,1-2H3,(H,21,24)(H,22,25);.
What are the key properties of N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium?
N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium has a molecular weight of 529.42 g/mol, XLogP of -0.71, 21 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-[2-[2-[2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-2-methylpropanamide;yttrium is sourced from PubChem (CID 155739438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).