sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid

C14H20NNaO4 — CID 173439901

IUPACsodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid
SMILESCOC(=O)CCCCCNc1ccc(C(=O)O)cc1.[H-].[Na+]
InChIInChI=1S/C14H19NO4.Na.H/c1-19-13(16)5-3-2-4-10-15-12-8-6-11(7-9-12)14(17)18;;/h6-9,15H,2-5,10H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyNFDHKIPMRYLWFC-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.35
Rot. Bonds8

About sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid

sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid (PubChem CID 173439901) has the molecular formula C14H20NNaO4 and a molecular weight of 289.31 g/mol. Its IUPAC name is sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid.

Molecular Properties

Compound Namesodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid
PubChem CID173439901
Molecular FormulaC14H20NNaO4
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Namesodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid
SMILESCOC(=O)CCCCCNc1ccc(C(=O)O)cc1.[H-].[Na+]
InChIInChI=1S/C14H19NO4.Na.H/c1-19-13(16)5-3-2-4-10-15-12-8-6-11(7-9-12)14(17)18;;/h6-9,15H,2-5,10H2,1H3,(H,17,18);;/q;+1;-1
InChIKeyNFDHKIPMRYLWFC-UHFFFAOYSA-N
XLogP-0.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid 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

ethyl 4-[(16-methoxy-16-oxohexadecyl)amino]benzoate
CID 21163354
4-(4-methoxybutylamino)benzoic acid
CID 62232205
methyl 6-[4-(cyanomethyl)anilino]hexanoate
CID 82538913
5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid
CID 82535182
methyl 4-[(16-methoxy-16-oxohexadec-4-ynyl)amino]benzoate
CID 21163359
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
4-[(2-methoxy-2-oxoethyl)amino]benzoic acid
CID 898305
4-(12-methyltridecylamino)benzoic acid
CID 21057297
4-(9,9,9-trifluorononylamino)benzoic acid
CID 20549402
ethane;methyl 4-(4-methylanilino)butanoate
CID 170958107
4-(13,13,13-trifluorotridecylamino)benzoic acid
CID 20549414
4-[3-(methylamino)propylamino]benzoic acid
CID 62232372

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid?
The IUPAC name of sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid (CID 173439901) is sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid.
What is the SMILES notation for sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid?
The canonical SMILES for sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid is COC(=O)CCCCCNc1ccc(C(=O)O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid?
The InChIKey is NFDHKIPMRYLWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4.Na.H/c1-19-13(16)5-3-2-4-10-15-12-8-6-11(7-9-12)14(17)18;;/h6-9,15H,2-5,10H2,1H3,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid?
sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-[(6-methoxy-6-oxohexyl)amino]benzoic acid is sourced from PubChem (CID 173439901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).