2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium

C13H27N2O5Y- — CID 171081898

IUPAC2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium
SMILESC[N-]CCOCCOCCOCCOCCNC(C)=O.[Y]
InChIInChI=1S/C13H27N2O5.Y/c1-13(16)15-4-6-18-8-10-20-12-11-19-9-7-17-5-3-14-2;/h3-12H2,1-2H3,(H,15,16);/q-1;
InChIKeyDVQSFNWMFGGPHH-UHFFFAOYSA-N
MW380.27 g/mol
LogP0.19
Rot. Bonds15

About 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium

2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium (PubChem CID 171081898) has the molecular formula C13H27N2O5Y- and a molecular weight of 380.27 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium.

Molecular Properties

Compound Name2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium
PubChem CID171081898
Molecular FormulaC13H27N2O5Y-
Molecular Weight380.27 g/mol
Exact Mass380.10
IUPAC Name2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium
SMILESC[N-]CCOCCOCCOCCOCCNC(C)=O.[Y]
InChIInChI=1S/C13H27N2O5.Y/c1-13(16)15-4-6-18-8-10-20-12-11-19-9-7-17-5-3-14-2;/h3-12H2,1-2H3,(H,15,16);/q-1;
InChIKeyDVQSFNWMFGGPHH-UHFFFAOYSA-N
XLogP0.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 87190698
potassium 2-acetamidoethyl(methyl)azanide
CID 178037217
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
N-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]acetamide
CID 169450266
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
The IUPAC name of 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium (CID 171081898) is 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium.
What is the SMILES notation for 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
The canonical SMILES for 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium is C[N-]CCOCCOCCOCCOCCNC(C)=O.[Y].
What is the InChIKey of 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
The InChIKey is DVQSFNWMFGGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2O5.Y/c1-13(16)15-4-6-18-8-10-20-12-11-19-9-7-17-5-3-14-2;/h3-12H2,1-2H3,(H,15,16);/q-1;.
What are the key properties of 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium?
2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium has a molecular weight of 380.27 g/mol, XLogP of 0.19, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl-methylazanide;yttrium is sourced from PubChem (CID 171081898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).