N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium

C19H31N2O4Y- — CID 156664424

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium
SMILESCC(C)(C)C(=O)NCCOCCO.[CH2-]C(=O)NCc1cccc(C)c1.[Y]
InChIInChI=1S/C10H12NO.C9H19NO3.Y/c1-8-4-3-5-10(6-8)7-11-9(2)12;1-9(2,3)8(12)10-4-6-13-7-5-11;/h3-6H,2,7H2,1H3,(H,11,12);11H,4-7H2,1-3H3,(H,10,12);/q-1;;
InChIKeyQYFCIMQRINSGTK-UHFFFAOYSA-N
MW440.37 g/mol
LogP1.60
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium

N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium (PubChem CID 156664424) has the molecular formula C19H31N2O4Y- and a molecular weight of 440.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium
PubChem CID156664424
Molecular FormulaC19H31N2O4Y-
Molecular Weight440.37 g/mol
Exact Mass440.13
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium
SMILESCC(C)(C)C(=O)NCCOCCO.[CH2-]C(=O)NCc1cccc(C)c1.[Y]
InChIInChI=1S/C10H12NO.C9H19NO3.Y/c1-8-4-3-5-10(6-8)7-11-9(2)12;1-9(2,3)8(12)10-4-6-13-7-5-11;/h3-6H,2,7H2,1H3,(H,11,12);11H,4-7H2,1-3H3,(H,10,12);/q-1;;
InChIKeyQYFCIMQRINSGTK-UHFFFAOYSA-N
XLogP1.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 51.60
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-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 122152484
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111899835
2-methyl-2-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 62847250
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
1-[2-(3-tert-butylphenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112972688
3-chloro-2,2-dimethyl-N-[(3-methylphenyl)methyl]propanamide
CID 63680580
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
tert-butyl N-[2-[3-[(2,2-dimethylpropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918539
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 34166719
(3-methylphenyl)methylurea
CID 60776531

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium (CID 156664424) is N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium is CC(C)(C)C(=O)NCCOCCO.[CH2-]C(=O)NCc1cccc(C)c1.[Y].
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium?
The InChIKey is QYFCIMQRINSGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO.C9H19NO3.Y/c1-8-4-3-5-10(6-8)7-11-9(2)12;1-9(2,3)8(12)10-4-6-13-7-5-11;/h3-6H,2,7H2,1H3,(H,11,12);11H,4-7H2,1-3H3,(H,10,12);/q-1;;.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium?
N-[2-(2-hydroxyethoxy)ethyl]-2,2-dimethylpropanamide;N-[(3-methylphenyl)methyl]acetamide;yttrium has a molecular weight of 440.37 g/mol, XLogP of 1.60, 7 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-[(3-methylphenyl)methyl]acetamide;yttrium is sourced from PubChem (CID 156664424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).