sodium;octanamide;propanoate

C11H22NNaO3 — CID 158225803

IUPACsodium;octanamide;propanoate
SMILESCCC(=O)[O-].CCCCCCCC(N)=O.[Na+]
InChIInChI=1S/C8H17NO.C3H6O2.Na/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;/h2-7H2,1H3,(H2,9,10);2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKeyHJRMDFBSPTWKAW-UHFFFAOYSA-M
MW239.29 g/mol
LogP-2.02
Rot. Bonds7

About sodium;octanamide;propanoate

sodium;octanamide;propanoate (PubChem CID 158225803) has the molecular formula C11H22NNaO3 and a molecular weight of 239.29 g/mol. Its IUPAC name is sodium;octanamide;propanoate.

Molecular Properties

Compound Namesodium;octanamide;propanoate
PubChem CID158225803
Molecular FormulaC11H22NNaO3
Molecular Weight239.29 g/mol
Exact Mass239.15
IUPAC Namesodium;octanamide;propanoate
SMILESCCC(=O)[O-].CCCCCCCC(N)=O.[Na+]
InChIInChI=1S/C8H17NO.C3H6O2.Na/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;/h2-7H2,1H3,(H2,9,10);2H2,1H3,(H,4,5);/q;;+1/p-1
InChIKeyHJRMDFBSPTWKAW-UHFFFAOYSA-M
XLogP-2.02
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sodium;octanamide;propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
sodium pentadecanoate
CID 23663638
sodium hentriacontanoate
CID 139987799
sodium heptadecanoate
CID 23663632
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
sodium;acetic acid;dodecanamide;hydride
CID 175410375

Frequently Asked Questions

What is the IUPAC name of sodium;octanamide;propanoate?
The IUPAC name of sodium;octanamide;propanoate (CID 158225803) is sodium;octanamide;propanoate.
What is the SMILES notation for sodium;octanamide;propanoate?
The canonical SMILES for sodium;octanamide;propanoate is CCC(=O)[O-].CCCCCCCC(N)=O.[Na+].
What is the InChIKey of sodium;octanamide;propanoate?
The InChIKey is HJRMDFBSPTWKAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO.C3H6O2.Na/c1-2-3-4-5-6-7-8(9)10;1-2-3(4)5;/h2-7H2,1H3,(H2,9,10);2H2,1H3,(H,4,5);/q;;+1/p-1.
What are the key properties of sodium;octanamide;propanoate?
sodium;octanamide;propanoate has a molecular weight of 239.29 g/mol, XLogP of -2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;octanamide;propanoate is sourced from PubChem (CID 158225803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).