N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium

C13H28NO3Y- — CID 153336214

IUPACN-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
SMILESCC(C)C.[CH2-]OCCOCCNC(=O)CCC.[Y]
InChIInChI=1S/C9H18NO3.C4H10.Y/c1-3-4-9(11)10-5-6-13-8-7-12-2;1-4(2)3;/h2-8H2,1H3,(H,10,11);4H,1-3H3;/q-1;;
InChIKeyZPYPGYOFZAKCRT-UHFFFAOYSA-N
MW335.28 g/mol
LogP2.39
Rot. Bonds8

About N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium

N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium (PubChem CID 153336214) has the molecular formula C13H28NO3Y- and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium.

Molecular Properties

Compound NameN-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
PubChem CID153336214
Molecular FormulaC13H28NO3Y-
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC NameN-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium
SMILESCC(C)C.[CH2-]OCCOCCNC(=O)CCC.[Y]
InChIInChI=1S/C9H18NO3.C4H10.Y/c1-3-4-9(11)10-5-6-13-8-7-12-2;1-4(2)3;/h2-8H2,1H3,(H,10,11);4H,1-3H3;/q-1;;
InChIKeyZPYPGYOFZAKCRT-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
ethene;N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]butanamide;molecular hydrogen
CID 176934514
(2S)-2-amino-N,N'-bis[2-[2-(butanoylamino)ethoxy]ethyl]pentanediamide
CID 168852497
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178008137
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
N-[2-[2-[3-(2-aminoethoxy)propanoylamino]ethoxy]ethyl]butanamide
CID 168852472
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium?
The IUPAC name of N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium (CID 153336214) is N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium.
What is the SMILES notation for N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium?
The canonical SMILES for N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium is CC(C)C.[CH2-]OCCOCCNC(=O)CCC.[Y].
What is the InChIKey of N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium?
The InChIKey is ZPYPGYOFZAKCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO3.C4H10.Y/c1-3-4-9(11)10-5-6-13-8-7-12-2;1-4(2)3;/h2-8H2,1H3,(H,10,11);4H,1-3H3;/q-1;;.
What are the key properties of N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium?
N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium has a molecular weight of 335.28 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methanidyloxyethoxy)ethyl]butanamide;2-methylpropane;yttrium is sourced from PubChem (CID 153336214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).