methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)

C29H62N2O9SY2 — CID 167601414

IUPACmethane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)
SMILESC.C.CCCOCCOCCC(=O)NC.CCCOCCOCCC(=O)NC(CSC)C(=O)CCCOCCOC.[Y].[Y]
InChIInChI=1S/C18H35NO6S.C9H19NO3.2CH4.2Y/c1-4-8-23-13-14-25-10-7-18(21)19-16(15-26-3)17(20)6-5-9-24-12-11-22-2;1-3-5-12-7-8-13-6-4-9(11)10-2;;;;/h16H,4-15H2,1-3H3,(H,19,21);3-8H2,1-2H3,(H,10,11);2*1H4;;
InChIKeyJUBSWLDEDXOCNV-UHFFFAOYSA-N
MW792.70 g/mol
LogP3.51
Rot. Bonds27

About methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)

methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium) (PubChem CID 167601414) has the molecular formula C29H62N2O9SY2 and a molecular weight of 792.70 g/mol. Its IUPAC name is methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium).

Molecular Properties

Compound Namemethane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)
PubChem CID167601414
Molecular FormulaC29H62N2O9SY2
Molecular Weight792.70 g/mol
Exact Mass792.23
IUPAC Namemethane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)
SMILESC.C.CCCOCCOCCC(=O)NC.CCCOCCOCCC(=O)NC(CSC)C(=O)CCCOCCOC.[Y].[Y]
InChIInChI=1S/C18H35NO6S.C9H19NO3.2CH4.2Y/c1-4-8-23-13-14-25-10-7-18(21)19-16(15-26-3)17(20)6-5-9-24-12-11-22-2;1-3-5-12-7-8-13-6-4-9(11)10-2;;;;/h16H,4-15H2,1-3H3,(H,19,21);3-8H2,1-2H3,(H,10,11);2*1H4;;
InChIKeyJUBSWLDEDXOCNV-UHFFFAOYSA-N
XLogP3.51
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500792.70
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide
CID 134579969
(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid
CID 59197808
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
(2S)-4-methylsulfanyl-2-(3-propoxypropanoylamino)butanoic acid
CID 62715100
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
methane;2-[2-(4-methoxybutoxy)ethoxy]-N-methylacetamide;6-(4-methoxybutoxy)-N-methylhexanamide;2-[3-(4-methoxybutoxy)propoxy]-N-methylacetamide;3-[4-(2-methoxyethoxy)butoxy]-N-methylpropanamide;5-[2-(2-methoxyethoxy)ethoxy]-N-methylpentanamide;8-(2-methoxyethoxy)-N-methyloctanamide;2-[5-(2-methoxyethoxy)pentoxy]-N-methylacetamide;4-[3-(2-methoxyethoxy)propoxy]-N-methylbutanamide;2-[2-(5-methoxypentoxy)ethoxy]-N-methylacetamide;5-(5-methoxypentoxy)-N-methylpentanamide;2-[4-(3-methoxypropoxy)butoxy]-N-methylacetamide;7-(3-methoxypropoxy)-N-methylheptanamide
CID 157408835
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphinothioyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide
CID 147626129
N-[1,11-bis(2-methoxyethoxy)-4,8-dioxoundecan-5-yl]-4-[3-[2-[2-[2-[2-[2-[2-[methanidyl(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-8-(2-methoxyethoxy)-5-oxooctanamide
CID 159527843
(2R)-3-hydroxy-2-(3-propoxypropanoylamino)propanoic acid
CID 80750974

Frequently Asked Questions

What is the IUPAC name of methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)?
The IUPAC name of methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium) (CID 167601414) is methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium).
What is the SMILES notation for methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)?
The canonical SMILES for methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium) is C.C.CCCOCCOCCC(=O)NC.CCCOCCOCCC(=O)NC(CSC)C(=O)CCCOCCOC.[Y].[Y].
What is the InChIKey of methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)?
The InChIKey is JUBSWLDEDXOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO6S.C9H19NO3.2CH4.2Y/c1-4-8-23-13-14-25-10-7-18(21)19-16(15-26-3)17(20)6-5-9-24-12-11-22-2;1-3-5-12-7-8-13-6-4-9(11)10-2;;;;/h16H,4-15H2,1-3H3,(H,19,21);3-8H2,1-2H3,(H,10,11);2*1H4;;.
What are the key properties of methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium)?
methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium) has a molecular weight of 792.70 g/mol, XLogP of 3.51, 27 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[6-(2-methoxyethoxy)-1-methylsulfanyl-3-oxohexan-2-yl]-3-(2-propoxyethoxy)propanamide;N-methyl-3-(2-propoxyethoxy)propanamide;bis(yttrium) is sourced from PubChem (CID 167601414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).