oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine

C16H21NO5 — CID 2923596

IUPACoxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H19NO.C2H2O4/c1-3-10-15(11-4-2)12-13-16-14-8-6-5-7-9-14;3-1(4)2(5)6/h3-9H,1-2,10-13H2;(H,3,4)(H,5,6)
InChIKeyWEAZCFXDXOTHLL-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.89
Rot. Bonds8

About oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine

oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine (PubChem CID 2923596) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Nameoxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine
PubChem CID2923596
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Nameoxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C14H19NO.C2H2O4/c1-3-10-15(11-4-2)12-13-16-14-8-6-5-7-9-14;3-1(4)2(5)6/h3-9H,1-2,10-13H2;(H,3,4)(H,5,6)
InChIKeyWEAZCFXDXOTHLL-UHFFFAOYSA-N
XLogP1.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Promolate
CID 71133
Diethyl(2-phenoxyethyl)amine
CID 66150
4-[2-(2-Bromophenoxy)ethyl]morpholine oxalate
CID 2847188
1-[2-(4-Methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847975
1-{2-[2-(4-Fluorophenoxy)ethoxy]ethyl}piperazine oxalate
CID 2922713
[2-(3-Bromophenoxy)ethyl]dimethylamine oxalate
CID 2935427
[4-(2-Fluorophenoxy)butyl]dimethylamine oxalate
CID 2935506
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620
1-(3-Phenoxypropyl)pyrrolidine oxalate
CID 2841432
2-(Octahydro-5,8,14,17-tetraoxa-11-aza-benzocyclopentadecen-11-YL)-ethanol
CID 3090860
2-(Diethylamino)ethyl (4-fluorophenoxy)acetate--hydrogen chloride (1/1)
CID 9599
4-[2-(3-Chlorophenoxy)ethyl]morpholine ethanedioate
CID 644755

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine (CID 2923596) is oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCOc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is WEAZCFXDXOTHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H2O4/c1-3-10-15(11-4-2)12-13-16-14-8-6-5-7-9-14;3-1(4)2(5)6/h3-9H,1-2,10-13H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine?
oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 307.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-(2-phenoxyethyl)-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 2923596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).