N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium

C13H24N2O3Y-2 — CID 59870391

IUPACN-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium
SMILESC[CH-]N([CH-]C(=O)NCC)C(=O)C(CC)(CC)OC.[Y]
InChIInChI=1S/C13H24N2O3.Y/c1-6-13(7-2,18-5)12(17)15(9-4)10-11(16)14-8-3;/h9-10H,6-8H2,1-5H3,(H,14,16);/q-2;
InChIKeyYVVVGEGOGGGLPJ-UHFFFAOYSA-N
MW345.25 g/mol
LogP1.50
Rot. Bonds8

About N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium

N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium (PubChem CID 59870391) has the molecular formula C13H24N2O3Y-2 and a molecular weight of 345.25 g/mol. Its IUPAC name is N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium.

Molecular Properties

Compound NameN-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium
PubChem CID59870391
Molecular FormulaC13H24N2O3Y-2
Molecular Weight345.25 g/mol
Exact Mass345.09
IUPAC NameN-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium
SMILESC[CH-]N([CH-]C(=O)NCC)C(=O)C(CC)(CC)OC.[Y]
InChIInChI=1S/C13H24N2O3.Y/c1-6-13(7-2,18-5)12(17)15(9-4)10-11(16)14-8-3;/h9-10H,6-8H2,1-5H3,(H,14,16);/q-2;
InChIKeyYVVVGEGOGGGLPJ-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium?
The IUPAC name of N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium (CID 59870391) is N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium.
What is the SMILES notation for N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium?
The canonical SMILES for N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium is C[CH-]N([CH-]C(=O)NCC)C(=O)C(CC)(CC)OC.[Y].
What is the InChIKey of N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium?
The InChIKey is YVVVGEGOGGGLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.Y/c1-6-13(7-2,18-5)12(17)15(9-4)10-11(16)14-8-3;/h9-10H,6-8H2,1-5H3,(H,14,16);/q-2;.
What are the key properties of N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium?
N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium has a molecular weight of 345.25 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybutanamide;yttrium is sourced from PubChem (CID 59870391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).