azane;bis(dodecanoic acid)

C24H51NO4 — CID 173380144

IUPACazane;bis(dodecanoic acid)
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.N
InChIInChI=1S/2C12H24O2.H3N/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);1H3
InChIKeyWLRLSDISEDXLRX-UHFFFAOYSA-N
MW417.68 g/mol
LogP8.15
Rot. Bonds20

About azane;bis(dodecanoic acid)

azane;bis(dodecanoic acid) (PubChem CID 173380144) has the molecular formula C24H51NO4 and a molecular weight of 417.68 g/mol. Its IUPAC name is azane;bis(dodecanoic acid).

Molecular Properties

Compound Nameazane;bis(dodecanoic acid)
PubChem CID173380144
Molecular FormulaC24H51NO4
Molecular Weight417.68 g/mol
Exact Mass417.38
IUPAC Nameazane;bis(dodecanoic acid)
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.N
InChIInChI=1S/2C12H24O2.H3N/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);1H3
InChIKeyWLRLSDISEDXLRX-UHFFFAOYSA-N
XLogP8.15
TPSA109.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;hexacosanoic acid
CID 173436690
azane;octadecanoic acid;zinc
CID 175418700
henicosane;tetracontanoic acid
CID 175935348
pentakis(decanoic acid);tetradecanoic acid
CID 173200297
(1,12-13C2)dodecanoic acid
CID 71308916
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
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of azane;bis(dodecanoic acid)?
The IUPAC name of azane;bis(dodecanoic acid) (CID 173380144) is azane;bis(dodecanoic acid).
What is the SMILES notation for azane;bis(dodecanoic acid)?
The canonical SMILES for azane;bis(dodecanoic acid) is CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.N.
What is the InChIKey of azane;bis(dodecanoic acid)?
The InChIKey is WLRLSDISEDXLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24O2.H3N/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);1H3.
What are the key properties of azane;bis(dodecanoic acid)?
azane;bis(dodecanoic acid) has a molecular weight of 417.68 g/mol, XLogP of 8.15, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(dodecanoic acid) is sourced from PubChem (CID 173380144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).