ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten

C12H27N2O3W- — CID 168962154

IUPACethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten
SMILESCC.[CH2-]COCCC(=O)NCCC(=O)NCC.[H][H].[W]
InChIInChI=1S/C10H19N2O3.C2H6.W.H2/c1-3-11-9(13)5-7-12-10(14)6-8-15-4-2;1-2;;/h2-8H2,1H3,(H,11,13)(H,12,14);1-2H3;;1H/q-1;;;
InChIKeyXJTOQEWHHZYYCB-UHFFFAOYSA-N
MW431.20 g/mol
LogP1.14
Rot. Bonds8

About ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten

ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten (PubChem CID 168962154) has the molecular formula C12H27N2O3W- and a molecular weight of 431.20 g/mol. Its IUPAC name is ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten.

Molecular Properties

Compound Nameethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten
PubChem CID168962154
Molecular FormulaC12H27N2O3W-
Molecular Weight431.20 g/mol
Exact Mass431.15
IUPAC Nameethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten
SMILESCC.[CH2-]COCCC(=O)NCCC(=O)NCC.[H][H].[W]
InChIInChI=1S/C10H19N2O3.C2H6.W.H2/c1-3-11-9(13)5-7-12-10(14)6-8-15-4-2;1-2;;/h2-8H2,1H3,(H,11,13)(H,12,14);1-2H3;;1H/q-1;;;
InChIKeyXJTOQEWHHZYYCB-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.20
LogP ≤ 51.14
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

3-ethoxy-N-(3-oxobutyl)propanamide;vanadium
CID 171817114
ethane;N'-(2-ethoxyethyl)-N-methylbutanediamide;molecular hydrogen;tungsten
CID 156649542
3-ethoxy-N-ethylpropanamide
CID 58030283
ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
N-ethyl-3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 164717500
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
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-ethyl-3-[3-[3-(ethylamino)-3-oxopropoxy]-2-[[3-(ethylamino)-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide
CID 134387196

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten?
The IUPAC name of ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten (CID 168962154) is ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten.
What is the SMILES notation for ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten?
The canonical SMILES for ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten is CC.[CH2-]COCCC(=O)NCCC(=O)NCC.[H][H].[W].
What is the InChIKey of ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten?
The InChIKey is XJTOQEWHHZYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O3.C2H6.W.H2/c1-3-11-9(13)5-7-12-10(14)6-8-15-4-2;1-2;;/h2-8H2,1H3,(H,11,13)(H,12,14);1-2H3;;1H/q-1;;;.
What are the key properties of ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten?
ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten has a molecular weight of 431.20 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-ethoxypropanoylamino)-N-ethylpropanamide;molecular hydrogen;tungsten is sourced from PubChem (CID 168962154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).