dodecanamide;hexanoic acid

C18H37NO3 — CID 19807771

IUPACdodecanamide;hexanoic acid
SMILESCCCCCC(=O)O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H25NO.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6(7)8/h2-11H2,1H3,(H2,13,14);2-5H2,1H3,(H,7,8)
InChIKeyFGNRVTPSNFXZBD-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.04
Rot. Bonds14

About dodecanamide;hexanoic acid

dodecanamide;hexanoic acid (PubChem CID 19807771) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is dodecanamide;hexanoic acid.

Molecular Properties

Compound Namedodecanamide;hexanoic acid
PubChem CID19807771
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Namedodecanamide;hexanoic acid
SMILESCCCCCC(=O)O.CCCCCCCCCCCC(N)=O
InChIInChI=1S/C12H25NO.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6(7)8/h2-11H2,1H3,(H2,13,14);2-5H2,1H3,(H,7,8)
InChIKeyFGNRVTPSNFXZBD-UHFFFAOYSA-N
XLogP5.04
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.04
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;dodecanoic acid
CID 23079031
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
nonacosanamide
CID 21105912
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of dodecanamide;hexanoic acid?
The IUPAC name of dodecanamide;hexanoic acid (CID 19807771) is dodecanamide;hexanoic acid.
What is the SMILES notation for dodecanamide;hexanoic acid?
The canonical SMILES for dodecanamide;hexanoic acid is CCCCCC(=O)O.CCCCCCCCCCCC(N)=O.
What is the InChIKey of dodecanamide;hexanoic acid?
The InChIKey is FGNRVTPSNFXZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO.C6H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6(7)8/h2-11H2,1H3,(H2,13,14);2-5H2,1H3,(H,7,8).
What are the key properties of dodecanamide;hexanoic acid?
dodecanamide;hexanoic acid has a molecular weight of 315.50 g/mol, XLogP of 5.04, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanamide;hexanoic acid is sourced from PubChem (CID 19807771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).