dodecanoic acid;tris(2-hydroxyacetamide)

C18H39N3O8 — CID 161152486

IUPACdodecanoic acid;tris(2-hydroxyacetamide)
SMILESCCCCCCCCCCCC(=O)O.NC(=O)CO.NC(=O)CO.NC(=O)CO
InChIInChI=1S/C12H24O2.3C2H5NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*3-2(5)1-4/h2-11H2,1H3,(H,13,14);3*4H,1H2,(H2,3,5)
InChIKeyUOWDVCFBHKWFIP-UHFFFAOYSA-N
MW425.52 g/mol
LogP-0.62
Rot. Bonds13

About dodecanoic acid;tris(2-hydroxyacetamide)

dodecanoic acid;tris(2-hydroxyacetamide) (PubChem CID 161152486) has the molecular formula C18H39N3O8 and a molecular weight of 425.52 g/mol. Its IUPAC name is dodecanoic acid;tris(2-hydroxyacetamide).

Molecular Properties

Compound Namedodecanoic acid;tris(2-hydroxyacetamide)
PubChem CID161152486
Molecular FormulaC18H39N3O8
Molecular Weight425.52 g/mol
Exact Mass425.27
IUPAC Namedodecanoic acid;tris(2-hydroxyacetamide)
SMILESCCCCCCCCCCCC(=O)O.NC(=O)CO.NC(=O)CO.NC(=O)CO
InChIInChI=1S/C12H24O2.3C2H5NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*3-2(5)1-4/h2-11H2,1H3,(H,13,14);3*4H,1H2,(H2,3,5)
InChIKeyUOWDVCFBHKWFIP-UHFFFAOYSA-N
XLogP-0.62
TPSA227.26 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 5-0.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dodecanamide;hexanoic acid
CID 19807771
dodecanamide;dodecanoic acid
CID 23079031
nonanoic acid;pentanediamide
CID 175768289
CID 172852931
CID 172852931
carbamic acid;docosanoic acid
CID 170310073
butane;bis(dodecanoic acid)
CID 173065671
azane;carbamic acid;hexadecanoic acid
CID 174832395
decanoic acid
CID 173247116
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
butane;hexanoic acid
CID 87467677
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;tris(2-hydroxyacetamide)?
The IUPAC name of dodecanoic acid;tris(2-hydroxyacetamide) (CID 161152486) is dodecanoic acid;tris(2-hydroxyacetamide).
What is the SMILES notation for dodecanoic acid;tris(2-hydroxyacetamide)?
The canonical SMILES for dodecanoic acid;tris(2-hydroxyacetamide) is CCCCCCCCCCCC(=O)O.NC(=O)CO.NC(=O)CO.NC(=O)CO.
What is the InChIKey of dodecanoic acid;tris(2-hydroxyacetamide)?
The InChIKey is UOWDVCFBHKWFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.3C2H5NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*3-2(5)1-4/h2-11H2,1H3,(H,13,14);3*4H,1H2,(H2,3,5).
What are the key properties of dodecanoic acid;tris(2-hydroxyacetamide)?
dodecanoic acid;tris(2-hydroxyacetamide) has a molecular weight of 425.52 g/mol, XLogP of -0.62, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;tris(2-hydroxyacetamide) is sourced from PubChem (CID 161152486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).