[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate

C20H22N2O4 — CID 7704066

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-12-21-20(25)22-18(23)14-26-19(24)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H2,21,22,23,25)
InChIKeyJVFNTWHAVIIBNV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.68
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7704066) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
PubChem CID7704066
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
SMILESCCCNC(=O)NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H22N2O4/c1-2-12-21-20(25)22-18(23)14-26-19(24)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H2,21,22,23,25)
InChIKeyJVFNTWHAVIIBNV-UHFFFAOYSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 2099230
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2427732
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7807585
[2-oxo-2-(propylamino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8610278
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate (CID 7704066) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate is CCCNC(=O)NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is JVFNTWHAVIIBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-12-21-20(25)22-18(23)14-26-19(24)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H2,21,22,23,25).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 354.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7704066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).