potassium N-(carboxymethyl)octadecanimidate

C20H38KNO3 — CID 101144222

IUPACpotassium N-(carboxymethyl)octadecanimidate
SMILESCCCCCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C20H39NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24;/h2-18H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1
InChIKeyMRHWNSXFHNSITI-UHFFFAOYSA-M
MW379.63 g/mol
LogP2.10
Rot. Bonds18

About potassium N-(carboxymethyl)octadecanimidate

potassium N-(carboxymethyl)octadecanimidate (PubChem CID 101144222) has the molecular formula C20H38KNO3 and a molecular weight of 379.63 g/mol. Its IUPAC name is potassium N-(carboxymethyl)octadecanimidate.

Molecular Properties

Compound Namepotassium N-(carboxymethyl)octadecanimidate
PubChem CID101144222
Molecular FormulaC20H38KNO3
Molecular Weight379.63 g/mol
Exact Mass379.25
IUPAC Namepotassium N-(carboxymethyl)octadecanimidate
SMILESCCCCCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[K+]
InChIInChI=1S/C20H39NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24;/h2-18H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1
InChIKeyMRHWNSXFHNSITI-UHFFFAOYSA-M
XLogP2.10
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 52.10
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'}

Analyze potassium N-(carboxymethyl)octadecanimidate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium N-(carboxymethyl)octadecanimidate?
The IUPAC name of potassium N-(carboxymethyl)octadecanimidate (CID 101144222) is potassium N-(carboxymethyl)octadecanimidate.
What is the SMILES notation for potassium N-(carboxymethyl)octadecanimidate?
The canonical SMILES for potassium N-(carboxymethyl)octadecanimidate is CCCCCCCCCCCCCCCCC/C([O-])=N/CC(=O)O.[K+].
What is the InChIKey of potassium N-(carboxymethyl)octadecanimidate?
The InChIKey is MRHWNSXFHNSITI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H39NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24;/h2-18H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1.
What are the key properties of potassium N-(carboxymethyl)octadecanimidate?
potassium N-(carboxymethyl)octadecanimidate has a molecular weight of 379.63 g/mol, XLogP of 2.10, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(carboxymethyl)octadecanimidate is sourced from PubChem (CID 101144222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).