N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium

C16H33N2O4Y- — CID 156664362

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium
SMILESCC(C)(C)C(=O)NCCOCCO.[CH2-]C(=O)NCCCCC.[Y]
InChIInChI=1S/C9H19NO3.C7H14NO.Y/c1-9(2,3)8(12)10-4-6-13-7-5-11;1-3-4-5-6-8-7(2)9;/h11H,4-7H2,1-3H3,(H,10,12);2-6H2,1H3,(H,8,9);/q;-1;
InChIKeyWZXJKUGHBWIZJR-UHFFFAOYSA-N
MW406.36 g/mol
LogP1.28
Rot. Bonds9

About N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium

N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium (PubChem CID 156664362) has the molecular formula C16H33N2O4Y- and a molecular weight of 406.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium
PubChem CID156664362
Molecular FormulaC16H33N2O4Y-
Molecular Weight406.36 g/mol
Exact Mass406.15
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium
SMILESCC(C)(C)C(=O)NCCOCCO.[CH2-]C(=O)NCCCCC.[Y]
InChIInChI=1S/C9H19NO3.C7H14NO.Y/c1-9(2,3)8(12)10-4-6-13-7-5-11;1-3-4-5-6-8-7(2)9;/h11H,4-7H2,1-3H3,(H,10,12);2-6H2,1H3,(H,8,9);/q;-1;
InChIKeyWZXJKUGHBWIZJR-UHFFFAOYSA-N
XLogP1.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
1-dodecyl-3-[7-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptyl]urea
CID 101460044
N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)
CID 156664328
N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium
CID 156664424
2-(ethylamino)-N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropanamide
CID 62834232
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium (CID 156664362) is N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium is CC(C)(C)C(=O)NCCOCCO.[CH2-]C(=O)NCCCCC.[Y].
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium?
The InChIKey is WZXJKUGHBWIZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3.C7H14NO.Y/c1-9(2,3)8(12)10-4-6-13-7-5-11;1-3-4-5-6-8-7(2)9;/h11H,4-7H2,1-3H3,(H,10,12);2-6H2,1H3,(H,8,9);/q;-1;.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium?
N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium has a molecular weight of 406.36 g/mol, XLogP of 1.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-pentylacetamide;yttrium is sourced from PubChem (CID 156664362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).