[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate

C13H21NO4 — CID 140993462

IUPAC[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CN(CC)CC)OC(=O)C(=C)C
InChIInChI=1S/C13H21NO4/c1-6-11(15)17-12(9-14(7-2)8-3)18-13(16)10(4)5/h6,12H,1,4,7-9H2,2-3,5H3
InChIKeyUJJKHWBEEVHJGC-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.50
Rot. Bonds8

About [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate

[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate (PubChem CID 140993462) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate
PubChem CID140993462
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CN(CC)CC)OC(=O)C(=C)C
InChIInChI=1S/C13H21NO4/c1-6-11(15)17-12(9-14(7-2)8-3)18-13(16)10(4)5/h6,12H,1,4,7-9H2,2-3,5H3
InChIKeyUJJKHWBEEVHJGC-UHFFFAOYSA-N
XLogP1.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
1-(diethylamino)pentan-3-yl 2-methylprop-2-enoate
CID 150692893
[2-(dimethylamino)-3-hydroxy-1-prop-2-enoyloxypropyl] 2-methylprop-2-enoate
CID 140984900
1,3-di(prop-2-enoyloxy)propan-2-yl 2-methylprop-2-enoate
CID 57056208
[ethyl(pentan-3-yl)amino] 2-methylprop-2-enoate;[ethyl(pentan-3-yl)amino] prop-2-enoate;dihydrochloride
CID 173494569
[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate;(3-hydroxy-2-prop-2-enoyloxypropyl) prop-2-enoate
CID 159044729
4-(diethylamino)butan-2-yl 2-methylprop-2-enoate
CID 142730754
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
1-(diethylamino)ethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 174820807
[3-(diethylamino)-2-hydroxypropyl] prop-2-enoate;hydroiodide
CID 173034906
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-prop-2-enoyloxyhexan-3-yl 2-methylprop-2-enoate
CID 57217151

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate (CID 140993462) is [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate is C=CC(=O)OC(CN(CC)CC)OC(=O)C(=C)C.
What is the InChIKey of [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate?
The InChIKey is UJJKHWBEEVHJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-6-11(15)17-12(9-14(7-2)8-3)18-13(16)10(4)5/h6,12H,1,4,7-9H2,2-3,5H3.
What are the key properties of [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate?
[2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate has a molecular weight of 255.31 g/mol, XLogP of 1.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-1-prop-2-enoyloxyethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140993462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).