[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

C14H17NO4 — CID 4223995

IUPAC[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
SMILESCCNC(=O)COC(=O)C=Cc1ccccc1OC
InChIInChI=1S/C14H17NO4/c1-3-15-13(16)10-19-14(17)9-8-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16)
InChIKeySJSUZUQDXXONKU-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.39
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 4223995) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
PubChem CID4223995
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
SMILESCCNC(=O)COC(=O)C=Cc1ccccc1OC
InChIInChI=1S/C14H17NO4/c1-3-15-13(16)10-19-14(17)9-8-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16)
InChIKeySJSUZUQDXXONKU-UHFFFAOYSA-N
XLogP1.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 71953961
[2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541348
ethyl 4-[[2-[3-(2-methoxyphenyl)prop-2-enoyloxy]acetyl]amino]butanoate
CID 3928760
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 9289086
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
[2-(2-ethylanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 8641246
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3439565
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 40577587
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541665
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541651
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 55525556
[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3300739

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate (CID 4223995) is [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate is CCNC(=O)COC(=O)C=Cc1ccccc1OC.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is SJSUZUQDXXONKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-15-13(16)10-19-14(17)9-8-11-6-4-5-7-12(11)18-2/h4-9H,3,10H2,1-2H3,(H,15,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate?
[2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 4223995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).