4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid

C17H25NO6 — CID 2923530

IUPAC4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid
SMILESC=CCNCCCCOc1ccc(OCC)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H23NO2.C2H2O4/c1-3-11-16-12-5-6-13-18-15-9-7-14(8-10-15)17-4-2;3-1(4)2(5)6/h3,7-10,16H,1,4-6,11-13H2,2H3;(H,3,4)(H,5,6)
InChIKeyQBEGIKWZBSQRLZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.18
Rot. Bonds10

About 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid

4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid (PubChem CID 2923530) has the molecular formula C17H25NO6 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid
PubChem CID2923530
Molecular FormulaC17H25NO6
Molecular Weight339.39 g/mol
Exact Mass339.17
IUPAC Name4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid
SMILESC=CCNCCCCOc1ccc(OCC)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H23NO2.C2H2O4/c1-3-11-16-12-5-6-13-18-15-9-7-14(8-10-15)17-4-2;3-1(4)2(5)6/h3,7-10,16H,1,4-6,11-13H2,2H3;(H,3,4)(H,5,6)
InChIKeyQBEGIKWZBSQRLZ-UHFFFAOYSA-N
XLogP2.18
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic 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

2-(4-(2-(((2R)-2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)acetic acid
CID 6604779
Ethyl 4-[(2-hydroxy-3-phenoxypropyl)amino]butanoate
CID 15578575
[4-(2-Fluorophenoxy)butyl]dimethylamine oxalate
CID 2935506
1-[4-(4-Methoxyphenoxy)-2-butyn-1-yl]piperazine oxalate
CID 2944133
1-[4-(4-Methoxyphenoxy)butyl]-4-methylpiperidine;oxalic acid
CID 24761392
Ici 215001
CID 164451
1-(3-Phenoxypropyl)pyrrolidine oxalate
CID 2841432
Ethyl 3-[(2-hydroxy-3-phenoxypropyl)amino]propanoate
CID 15578573
N-{2-[2-(2-fluorophenoxy)ethoxy]ethyl}-2-propanamine oxalate
CID 2869880
1-{2-[2-(4-Ethoxyphenoxy)ethoxy]ethyl}pyrrolidine oxalate
CID 2922327
1-[2-(4-Ethoxyphenoxy)ethyl]piperidine oxalate
CID 2922768
4-{2-[2-(4-Ethoxyphenoxy)ethoxy]ethyl}morpholine oxalate
CID 2923074

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid (CID 2923530) is 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid is C=CCNCCCCOc1ccc(OCC)cc1.O=C(O)C(=O)O.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid?
The InChIKey is QBEGIKWZBSQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C2H2O4/c1-3-11-16-12-5-6-13-18-15-9-7-14(8-10-15)17-4-2;3-1(4)2(5)6/h3,7-10,16H,1,4-6,11-13H2,2H3;(H,3,4)(H,5,6).
What are the key properties of 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid?
4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid has a molecular weight of 339.39 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine;oxalic acid is sourced from PubChem (CID 2923530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).