2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate

C15H19NO4 — CID 141413988

IUPAC2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
SMILESCC=CC(=O)OCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-4-5-14(17)19-10-11-20-15(18)12-6-8-13(9-7-12)16(2)3/h4-9H,10-11H2,1-3H3
InChIKeyKRWKJIFYUBLJGN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.03
Rot. Bonds6

About 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate

2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate (PubChem CID 141413988) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
PubChem CID141413988
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate
SMILESCC=CC(=O)OCCOC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19NO4/c1-4-5-14(17)19-10-11-20-15(18)12-6-8-13(9-7-12)16(2)3/h4-9H,10-11H2,1-3H3
InChIKeyKRWKJIFYUBLJGN-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
2-(2-methylprop-1-enoxy)ethyl 4-(dimethylamino)benzoate
CID 152620766
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 4-(dimethylamino)benzoate
CID 174814731
2-(ethylamino)ethyl 4-(dimethylamino)benzoate
CID 71098016
CID 70858409
CID 70858409
2-[(2E,4E)-hexa-2,4-dienoyl]oxyethyl 4-hydroxybenzoate
CID 174381920
2-(3-iminobutanoyloxy)ethyl 4-(dimethylamino)benzoate
CID 54098147
[2-[[4-(dimethylamino)phenyl]methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9081034
2-[3-[2-(dimethylamino)ethyl-methylamino]propanoyloxy]ethyl 4-(dimethylamino)benzoate
CID 58027721
2-(2-methoxyethyldisulfanyl)ethyl 4-(dimethylamino)benzoate
CID 155017111
2-piperidin-1-ylethyl 4-(dimethylamino)benzoate
CID 58027720
nitrous acid;octyl 4-(dimethylamino)benzoate
CID 174402955

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate?
The IUPAC name of 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate (CID 141413988) is 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate.
What is the SMILES notation for 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate?
The canonical SMILES for 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate is CC=CC(=O)OCCOC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate?
The InChIKey is KRWKJIFYUBLJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-5-14(17)19-10-11-20-15(18)12-6-8-13(9-7-12)16(2)3/h4-9H,10-11H2,1-3H3.
What are the key properties of 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate?
2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate has a molecular weight of 277.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoyloxyethyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 141413988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).