[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate

C18H24N4O5 — CID 25296484

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C18H24N4O5/c1-3-10-19-17(25)20-15(23)12-27-16(24)9-11-22-14-8-6-5-7-13(14)21(4-2)18(22)26/h5-8H,3-4,9-12H2,1-2H3,(H2,19,20,23,25)
InChIKeyYNILYUOHEKPRHM-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.99
Rot. Bonds8

About [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate (PubChem CID 25296484) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
PubChem CID25296484
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
SMILESCCCNC(=O)NC(=O)COC(=O)CCn1c(=O)n(CC)c2ccccc21
InChIInChI=1S/C18H24N4O5/c1-3-10-19-17(25)20-15(23)12-27-16(24)9-11-22-14-8-6-5-7-13(14)21(4-2)18(22)26/h5-8H,3-4,9-12H2,1-2H3,(H2,19,20,23,25)
InChIKeyYNILYUOHEKPRHM-UHFFFAOYSA-N
XLogP0.99
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylpropanamide
CID 55953573
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 25295473
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8645953
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 4006350
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
CID 55705815
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 55471576
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
CID 2565803

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate (CID 25296484) is [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate is CCCNC(=O)NC(=O)COC(=O)CCn1c(=O)n(CC)c2ccccc21.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
The InChIKey is YNILYUOHEKPRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-3-10-19-17(25)20-15(23)12-27-16(24)9-11-22-14-8-6-5-7-13(14)21(4-2)18(22)26/h5-8H,3-4,9-12H2,1-2H3,(H2,19,20,23,25).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate has a molecular weight of 376.41 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 25296484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).