dodecanamide;dodecanoic acid

C24H49NO3 — CID 23079031

IUPACdodecanamide;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H25NO.C12H24O2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14);2-11H2,1H3,(H,13,14)
InChIKeySFRVRODRAHAQGV-UHFFFAOYSA-N
MW399.66 g/mol
LogP7.38
Rot. Bonds20

About dodecanamide;dodecanoic acid

dodecanamide;dodecanoic acid (PubChem CID 23079031) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is dodecanamide;dodecanoic acid.

Molecular Properties

Compound Namedodecanamide;dodecanoic acid
PubChem CID23079031
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC Namedodecanamide;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H25NO.C12H24O2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14);2-11H2,1H3,(H,13,14)
InChIKeySFRVRODRAHAQGV-UHFFFAOYSA-N
XLogP7.38
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecanamide;hexanoic acid
CID 19807771
nonanoic acid;pentanediamide
CID 175768289
CID 172852931
CID 172852931
carbamic acid;docosanoic acid
CID 170310073
dodecanoic acid;tris(2-hydroxyacetamide)
CID 161152486
azane;carbamic acid;hexadecanoic acid
CID 174832395
decanoic acid
CID 173247116
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of dodecanamide;dodecanoic acid?
The IUPAC name of dodecanamide;dodecanoic acid (CID 23079031) is dodecanamide;dodecanoic acid.
What is the SMILES notation for dodecanamide;dodecanoic acid?
The canonical SMILES for dodecanamide;dodecanoic acid is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(N)=O.
What is the InChIKey of dodecanamide;dodecanoic acid?
The InChIKey is SFRVRODRAHAQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C12H24O2/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14);2-11H2,1H3,(H,13,14).
What are the key properties of dodecanamide;dodecanoic acid?
dodecanamide;dodecanoic acid has a molecular weight of 399.66 g/mol, XLogP of 7.38, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanamide;dodecanoic acid is sourced from PubChem (CID 23079031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).