2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate

C13H23NO3 — CID 18705365

IUPAC2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC/N=C(\C)CC(C)C
InChIInChI=1S/C13H23NO3/c1-5-13(15)17-9-8-16-7-6-14-12(4)10-11(2)3/h5,11H,1,6-10H2,2-4H3/b14-12+
InChIKeyXJGDRYIWKAXCNF-WYMLVPIESA-N
MW241.33 g/mol
LogP2.24
Rot. Bonds9

About 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate

2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate (PubChem CID 18705365) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate
PubChem CID18705365
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC/N=C(\C)CC(C)C
InChIInChI=1S/C13H23NO3/c1-5-13(15)17-9-8-16-7-6-14-12(4)10-11(2)3/h5,11H,1,6-10H2,2-4H3/b14-12+
InChIKeyXJGDRYIWKAXCNF-WYMLVPIESA-N
XLogP2.24
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl 2-methylprop-2-enoate
CID 18705370
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate (CID 18705365) is 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCC/N=C(\C)CC(C)C.
What is the InChIKey of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate?
The InChIKey is XJGDRYIWKAXCNF-WYMLVPIESA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-13(15)17-9-8-16-7-6-14-12(4)10-11(2)3/h5,11H,1,6-10H2,2-4H3/b14-12+.
What are the key properties of 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate?
2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate has a molecular weight of 241.33 g/mol, XLogP of 2.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpentan-2-ylideneamino)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 18705365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).