ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten

C11H25N2O3W- — CID 156649542

IUPACethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten
SMILESCC.[CH2-]COCCNC(=O)CCC(=O)NC.[H][H].[W]
InChIInChI=1S/C9H17N2O3.C2H6.W.H2/c1-3-14-7-6-11-9(13)5-4-8(12)10-2;1-2;;/h1,3-7H2,2H3,(H,10,12)(H,11,13);1-2H3;;1H/q-1;;;
InChIKeyNOGAASZDFORYKY-UHFFFAOYSA-N
MW417.17 g/mol
LogP0.75
Rot. Bonds7

About ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten

ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten (PubChem CID 156649542) has the molecular formula C11H25N2O3W- and a molecular weight of 417.17 g/mol. Its IUPAC name is ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten.

Molecular Properties

Compound Nameethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten
PubChem CID156649542
Molecular FormulaC11H25N2O3W-
Molecular Weight417.17 g/mol
Exact Mass417.14
IUPAC Nameethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten
SMILESCC.[CH2-]COCCNC(=O)CCC(=O)NC.[H][H].[W]
InChIInChI=1S/C9H17N2O3.C2H6.W.H2/c1-3-14-7-6-11-9(13)5-4-8(12)10-2;1-2;;/h1,3-7H2,2H3,(H,10,12)(H,11,13);1-2H3;;1H/q-1;;;
InChIKeyNOGAASZDFORYKY-UHFFFAOYSA-N
XLogP0.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.17
LogP ≤ 50.75
H-Bond Donors ≤ 52
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

ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten
CID 168962154
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
CID 154937129
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
N-methyl-3-[2-[2-(propanoylamino)ethoxy]ethoxy]propanamide
CID 163393368
3-ethoxy-N-(3-oxobutyl)propanamide;vanadium
CID 171817114
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
ethane;molecular hydrogen;N-[2-(3-oxobutoxy)ethyl]butanamide
CID 171786557
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
3-(methylamino)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467912

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten?
The IUPAC name of ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten (CID 156649542) is ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten.
What is the SMILES notation for ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten?
The canonical SMILES for ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten is CC.[CH2-]COCCNC(=O)CCC(=O)NC.[H][H].[W].
What is the InChIKey of ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten?
The InChIKey is NOGAASZDFORYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2O3.C2H6.W.H2/c1-3-14-7-6-11-9(13)5-4-8(12)10-2;1-2;;/h1,3-7H2,2H3,(H,10,12)(H,11,13);1-2H3;;1H/q-1;;;.
What are the key properties of ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten?
ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten has a molecular weight of 417.17 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten is sourced from PubChem (CID 156649542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).