[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate

C15H18N2O5 — CID 7705365

IUPAC[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
SMILESC=CCNC(=O)NC(=O)COC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H18N2O5/c1-3-8-16-15(20)17-13(18)10-22-14(19)9-11-4-6-12(21-2)7-5-11/h3-7H,1,8-10H2,2H3,(H2,16,17,18,20)
InChIKeyGVGZMEYFNSRBQV-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.79
Rot. Bonds7

About [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 7705365) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
PubChem CID7705365
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
SMILESC=CCNC(=O)NC(=O)COC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H18N2O5/c1-3-8-16-15(20)17-13(18)10-22-14(19)9-11-4-6-12(21-2)7-5-11/h3-7H,1,8-10H2,2H3,(H2,16,17,18,20)
InChIKeyGVGZMEYFNSRBQV-UHFFFAOYSA-N
XLogP0.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate
CID 2519882
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201254
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(methylsulfonylmethyl)benzoate
CID 41238598
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556389
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608709
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-thiophen-3-ylpropanoate
CID 30060919
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556286

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate (CID 7705365) is [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate is C=CCNC(=O)NC(=O)COC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is GVGZMEYFNSRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-3-8-16-15(20)17-13(18)10-22-14(19)9-11-4-6-12(21-2)7-5-11/h3-7H,1,8-10H2,2H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate?
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 306.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7705365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).