CID 131883127

C14H24N2NaO5 — CID 131883127

IUPAC—
SMILESCCCCOCCOCCC1(CC)C(=O)NC(=O)NC1=O.[Na]
InChIInChI=1S/C14H24N2O5.Na/c1-3-5-7-20-9-10-21-8-6-14(4-2)11(17)15-13(19)16-12(14)18;/h3-10H2,1-2H3,(H2,15,16,17,18,19);
InChIKeyYMTMWJDPOAFGCP-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.59
Rot. Bonds10

About CID 131883127

CID 131883127 (PubChem CID 131883127) has the molecular formula C14H24N2NaO5 and a molecular weight of 323.35 g/mol.

Molecular Properties

Compound NameCID 131883127
PubChem CID131883127
Molecular FormulaC14H24N2NaO5
Molecular Weight323.35 g/mol
Exact Mass323.16
IUPAC Name—
SMILESCCCCOCCOCCC1(CC)C(=O)NC(=O)NC1=O.[Na]
InChIInChI=1S/C14H24N2O5.Na/c1-3-5-7-20-9-10-21-8-6-14(4-2)11(17)15-13(19)16-12(14)18;/h3-10H2,1-2H3,(H2,15,16,17,18,19);
InChIKeyYMTMWJDPOAFGCP-UHFFFAOYSA-N
XLogP0.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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sodium 5-[2-(2-ethoxyethoxy)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidin-2-olate
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1-[2-(2-butoxyethylperoxy)ethoxy]butane
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1,10-bis(2-butoxyethoxy)decane
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2-(2-butoxyethoxy)ethyl cyanate
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1-(2-phosphorosooxyethoxy)butane
CID 54124788
3,3-bis(9-butoxynonyl)cyclobutan-1-one
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ethane;1-(2-propoxyethoxy)butane
CID 164535746
ethyl 3-(5-octyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
CID 142170729
aluminum;1-butoxybutane;hydride
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1-butoxybutane;methoxymethane
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Frequently Asked Questions

What is the IUPAC name of CID 131883127?
The IUPAC name of CID 131883127 (CID 131883127) is not available.
What is the SMILES notation for CID 131883127?
The canonical SMILES for CID 131883127 is CCCCOCCOCCC1(CC)C(=O)NC(=O)NC1=O.[Na].
What is the InChIKey of CID 131883127?
The InChIKey is YMTMWJDPOAFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5.Na/c1-3-5-7-20-9-10-21-8-6-14(4-2)11(17)15-13(19)16-12(14)18;/h3-10H2,1-2H3,(H2,15,16,17,18,19);.
What are the key properties of CID 131883127?
CID 131883127 has a molecular weight of 323.35 g/mol, XLogP of 0.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131883127 is sourced from PubChem (CID 131883127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).