sodium N-(carboxymethyl)hexadecanimidate

C18H34NNaO3 — CID 101207708

IUPACsodium N-(carboxymethyl)hexadecanimidate
SMILESCCCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C18H35NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22;/h2-16H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyIPUUFZFIUKCPJN-UHFFFAOYSA-M
MW335.46 g/mol
LogP1.32
Rot. Bonds16

About sodium N-(carboxymethyl)hexadecanimidate

sodium N-(carboxymethyl)hexadecanimidate (PubChem CID 101207708) has the molecular formula C18H34NNaO3 and a molecular weight of 335.46 g/mol. Its IUPAC name is sodium N-(carboxymethyl)hexadecanimidate.

Molecular Properties

Compound Namesodium N-(carboxymethyl)hexadecanimidate
PubChem CID101207708
Molecular FormulaC18H34NNaO3
Molecular Weight335.46 g/mol
Exact Mass335.24
IUPAC Namesodium N-(carboxymethyl)hexadecanimidate
SMILESCCCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+]
InChIInChI=1S/C18H35NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22;/h2-16H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyIPUUFZFIUKCPJN-UHFFFAOYSA-M
XLogP1.32
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 51.32
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)hexadecanimidate?
The IUPAC name of sodium N-(carboxymethyl)hexadecanimidate (CID 101207708) is sodium N-(carboxymethyl)hexadecanimidate.
What is the SMILES notation for sodium N-(carboxymethyl)hexadecanimidate?
The canonical SMILES for sodium N-(carboxymethyl)hexadecanimidate is CCCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[Na+].
What is the InChIKey of sodium N-(carboxymethyl)hexadecanimidate?
The InChIKey is IPUUFZFIUKCPJN-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H35NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22;/h2-16H2,1H3,(H,19,20)(H,21,22);/q;+1/p-1.
What are the key properties of sodium N-(carboxymethyl)hexadecanimidate?
sodium N-(carboxymethyl)hexadecanimidate has a molecular weight of 335.46 g/mol, XLogP of 1.32, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(carboxymethyl)hexadecanimidate is sourced from PubChem (CID 101207708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).