sodium N-(carboxymethyl)tetradecanimidate

C16H30NNaO3 — CID 101207706

IUPACsodium N-(carboxymethyl)tetradecanimidate
SMILESCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C16H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20;/h2-14H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1
InChIKeyYBDZITJALUSANZ-UHFFFAOYSA-M
MW307.41 g/mol
LogP0.53
Rot. Bonds14

About sodium N-(carboxymethyl)tetradecanimidate

sodium N-(carboxymethyl)tetradecanimidate (PubChem CID 101207706) has the molecular formula C16H30NNaO3 and a molecular weight of 307.41 g/mol. Its IUPAC name is sodium N-(carboxymethyl)tetradecanimidate.

Molecular Properties

Compound Namesodium N-(carboxymethyl)tetradecanimidate
PubChem CID101207706
Molecular FormulaC16H30NNaO3
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Namesodium N-(carboxymethyl)tetradecanimidate
SMILESCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C16H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20;/h2-14H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1
InChIKeyYBDZITJALUSANZ-UHFFFAOYSA-M
XLogP0.53
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-(carboxymethyl)tetradecanimidate?
The IUPAC name of sodium N-(carboxymethyl)tetradecanimidate (CID 101207706) is sodium N-(carboxymethyl)tetradecanimidate.
What is the SMILES notation for sodium N-(carboxymethyl)tetradecanimidate?
The canonical SMILES for sodium N-(carboxymethyl)tetradecanimidate is CCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+].
What is the InChIKey of sodium N-(carboxymethyl)tetradecanimidate?
The InChIKey is YBDZITJALUSANZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20;/h2-14H2,1H3,(H,17,18)(H,19,20);/q;+1/p-1.
What are the key properties of sodium N-(carboxymethyl)tetradecanimidate?
sodium N-(carboxymethyl)tetradecanimidate has a molecular weight of 307.41 g/mol, XLogP of 0.53, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(carboxymethyl)tetradecanimidate is sourced from PubChem (CID 101207706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).