methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten

C12H25N2O2W- — CID 164568028

IUPACmethyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten
SMILESC[N-]CCCOCCCN(C)C(=O)C(C)C.[W]
InChIInChI=1S/C12H25N2O2.W/c1-11(2)12(15)14(4)8-6-10-16-9-5-7-13-3;/h11H,5-10H2,1-4H3;/q-1;
InChIKeyFPYKGBULAQRMTO-UHFFFAOYSA-N
MW413.18 g/mol
LogP1.90
Rot. Bonds9

About methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten

methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten (PubChem CID 164568028) has the molecular formula C12H25N2O2W- and a molecular weight of 413.18 g/mol. Its IUPAC name is methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten.

Molecular Properties

Compound Namemethyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten
PubChem CID164568028
Molecular FormulaC12H25N2O2W-
Molecular Weight413.18 g/mol
Exact Mass413.14
IUPAC Namemethyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten
SMILESC[N-]CCCOCCCN(C)C(=O)C(C)C.[W]
InChIInChI=1S/C12H25N2O2.W/c1-11(2)12(15)14(4)8-6-10-16-9-5-7-13-3;/h11H,5-10H2,1-4H3;/q-1;
InChIKeyFPYKGBULAQRMTO-UHFFFAOYSA-N
XLogP1.90
TPSA43.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-[3-[3-[methyl(methylsulfanylcarbonyl)amino]propoxy]propyl]azanide;vanadium
CID 169214932
N,2-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229
N-butyl-N,2-dimethylpropanamide
CID 21413636
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
N,2-dimethyl-N-(9-methyl-8-oxodecyl)propanamide
CID 176576878
N-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethyl]-N,2-dimethylpropanamide
CID 176777052
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
CID 174138442
CID 174138442
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
2-[methyl(2-methylpropanoyl)amino]ethyl nonanoate
CID 162060227
3-[methyl(prop-2-enoyl)amino]propyl 2-methylpropanoate
CID 134486156

Frequently Asked Questions

What is the IUPAC name of methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten?
The IUPAC name of methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten (CID 164568028) is methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten.
What is the SMILES notation for methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten?
The canonical SMILES for methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten is C[N-]CCCOCCCN(C)C(=O)C(C)C.[W].
What is the InChIKey of methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten?
The InChIKey is FPYKGBULAQRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O2.W/c1-11(2)12(15)14(4)8-6-10-16-9-5-7-13-3;/h11H,5-10H2,1-4H3;/q-1;.
What are the key properties of methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten?
methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten has a molecular weight of 413.18 g/mol, XLogP of 1.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[3-[methyl(2-methylpropanoyl)amino]propoxy]propyl]azanide;tungsten is sourced from PubChem (CID 164568028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).