ethane;(3-propoxypropanoylamino)methylmercury

C9H20HgNO2 — CID 166157838

IUPACethane;(3-propoxypropanoylamino)methylmercury
SMILESCC.CCCOCCC(=O)NC[Hg]
InChIInChI=1S/C7H14NO2.C2H6.Hg/c1-3-5-10-6-4-7(9)8-2;1-2;/h2-6H2,1H3,(H,8,9);1-2H3;
InChIKeyDVNSFEGLYBTSNO-UHFFFAOYSA-N
MW374.85 g/mol
LogP1.45
Rot. Bonds6

About ethane;(3-propoxypropanoylamino)methylmercury

ethane;(3-propoxypropanoylamino)methylmercury (PubChem CID 166157838) has the molecular formula C9H20HgNO2 and a molecular weight of 374.85 g/mol. Its IUPAC name is ethane;(3-propoxypropanoylamino)methylmercury.

Molecular Properties

Compound Nameethane;(3-propoxypropanoylamino)methylmercury
PubChem CID166157838
Molecular FormulaC9H20HgNO2
Molecular Weight374.85 g/mol
Exact Mass376.12
IUPAC Nameethane;(3-propoxypropanoylamino)methylmercury
SMILESCC.CCCOCCC(=O)NC[Hg]
InChIInChI=1S/C7H14NO2.C2H6.Hg/c1-3-5-10-6-4-7(9)8-2;1-2;/h2-6H2,1H3,(H,8,9);1-2H3;
InChIKeyDVNSFEGLYBTSNO-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-propoxy-N-propylpropanamide
CID 163269237
N-ethyl-3-[2-(2-propoxyethoxy)ethoxy]propanamide
CID 144855445
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
N-ethyl-3-octadecoxypropanamide
CID 169179965
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
N-[(2R)-2-hydroxypropyl]-3-propoxypropanamide
CID 83060047
N-(2-hydroxy-2-methylpropyl)-3-propoxypropanamide
CID 65109854
2-[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propanoylamino]ethylcarbamic acid
CID 143180051
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(2-propoxyethoxy)propanamide;molecular hydrogen
CID 176987409
N-(3-methylbutyl)-3-(2-propoxyethoxy)propanamide
CID 167117369
ethane;molecular hydrogen;N-[2-(2-propoxyethoxy)ethyl]pentanamide
CID 170639867
3-ethoxy-N-ethylpropanamide
CID 58030283

Frequently Asked Questions

What is the IUPAC name of ethane;(3-propoxypropanoylamino)methylmercury?
The IUPAC name of ethane;(3-propoxypropanoylamino)methylmercury (CID 166157838) is ethane;(3-propoxypropanoylamino)methylmercury.
What is the SMILES notation for ethane;(3-propoxypropanoylamino)methylmercury?
The canonical SMILES for ethane;(3-propoxypropanoylamino)methylmercury is CC.CCCOCCC(=O)NC[Hg].
What is the InChIKey of ethane;(3-propoxypropanoylamino)methylmercury?
The InChIKey is DVNSFEGLYBTSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2.C2H6.Hg/c1-3-5-10-6-4-7(9)8-2;1-2;/h2-6H2,1H3,(H,8,9);1-2H3;.
What are the key properties of ethane;(3-propoxypropanoylamino)methylmercury?
ethane;(3-propoxypropanoylamino)methylmercury has a molecular weight of 374.85 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-propoxypropanoylamino)methylmercury is sourced from PubChem (CID 166157838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).