[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate

C15H20N2O4 — CID 2544060

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H20N2O4/c1-4-7-16-15(20)17-13(18)9-21-14(19)12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyRICLIBQWDJXJBF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.70
Rot. Bonds5

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate (PubChem CID 2544060) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
PubChem CID2544060
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H20N2O4/c1-4-7-16-15(20)17-13(18)9-21-14(19)12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H2,16,17,18,20)
InChIKeyRICLIBQWDJXJBF-UHFFFAOYSA-N
XLogP1.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648583
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432
[2-oxo-2-(prop-2-ynylamino)ethyl] 2,4-dimethylbenzoate
CID 9229617
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-amino-4-nitrobenzoate
CID 18085469
[2-(benzylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544191
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519687
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 16520375
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796041
[2-oxo-2-(propylcarbamoylamino)ethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 38866405
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8511158

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate (CID 2544060) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate is CCCNC(=O)NC(=O)COC(=O)c1ccc(C)cc1C.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate?
The InChIKey is RICLIBQWDJXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-7-16-15(20)17-13(18)9-21-14(19)12-6-5-10(2)8-11(12)3/h5-6,8H,4,7,9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 1.70, 5 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-dimethylbenzoate is sourced from PubChem (CID 2544060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).