sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate

C19H20NNaO3 — CID 135770205

IUPACsodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
SMILESO=C([O-])CCCCC/N=C(\c1ccccc1)c1ccccc1O.[Na+]
InChIInChI=1S/C19H21NO3.Na/c21-17-12-7-6-11-16(17)19(15-9-3-1-4-10-15)20-14-8-2-5-13-18(22)23;/h1,3-4,6-7,9-12,21H,2,5,8,13-14H2,(H,22,23);/q;+1/p-1/b20-19+;
InChIKeyIHUPYCVRFNXTIJ-RZLHGTIFSA-M
MW333.36 g/mol
LogP-0.46
Rot. Bonds8

About sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate

sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate (PubChem CID 135770205) has the molecular formula C19H20NNaO3 and a molecular weight of 333.36 g/mol. Its IUPAC name is sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate.

Molecular Properties

Compound Namesodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
PubChem CID135770205
Molecular FormulaC19H20NNaO3
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Namesodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
SMILESO=C([O-])CCCCC/N=C(\c1ccccc1)c1ccccc1O.[Na+]
InChIInChI=1S/C19H21NO3.Na/c21-17-12-7-6-11-16(17)19(15-9-3-1-4-10-15)20-14-8-2-5-13-18(22)23;/h1,3-4,6-7,9-12,21H,2,5,8,13-14H2,(H,22,23);/q;+1/p-1/b20-19+;
InChIKeyIHUPYCVRFNXTIJ-RZLHGTIFSA-M
XLogP-0.46
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-[[(2-fluorophenyl)-(2-hydroxyphenyl)methylidene]amino]butanoate
CID 135624088
disodium;10-(2-hydroxyphenyl)-10-oxodecanoate;12-(2-hydroxyphenyl)-12-oxododecanoate;sulfane
CID 158243902
sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
CID 135624084
decanedioate;bis(tin(4+));benzoate
CID 160634216
triazanium;hexanedioate;benzoate
CID 178053899
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
sodium 8-[2-(2-hydroxybenzoyl)hydrazinyl]octanoate
CID 171775960
calcium;6-benzamidohexanoic acid;6-[[oxido(phenyl)methylidene]amino]hexanoate
CID 101304485
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
CID 3046782
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
decanoate;phenylmercury(1+)
CID 70457724

Frequently Asked Questions

What is the IUPAC name of sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
The IUPAC name of sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate (CID 135770205) is sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate.
What is the SMILES notation for sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
The canonical SMILES for sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate is O=C([O-])CCCCC/N=C(\c1ccccc1)c1ccccc1O.[Na+].
What is the InChIKey of sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
The InChIKey is IHUPYCVRFNXTIJ-RZLHGTIFSA-M. The full InChI is InChI=1S/C19H21NO3.Na/c21-17-12-7-6-11-16(17)19(15-9-3-1-4-10-15)20-14-8-2-5-13-18(22)23;/h1,3-4,6-7,9-12,21H,2,5,8,13-14H2,(H,22,23);/q;+1/p-1/b20-19+;.
What are the key properties of sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate?
sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate has a molecular weight of 333.36 g/mol, XLogP of -0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate is sourced from PubChem (CID 135770205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).