[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate

C15H20N2O4 — CID 2607035

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-9-16-15(20)17-13(18)10-21-14(19)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyQDPBGDAWVPKDIJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.64
Rot. Bonds6

About [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate (PubChem CID 2607035) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
PubChem CID2607035
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-9-16-15(20)17-13(18)10-21-14(19)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyQDPBGDAWVPKDIJ-UHFFFAOYSA-N
XLogP1.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
CID 2612537
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 16520375
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7807585
[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 26728415
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
CID 7703073
[2-oxo-2-(propylcarbamoylamino)ethyl] 2,4-dimethylbenzoate
CID 2544060
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate
CID 8538101
2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7699310
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
[2-oxo-2-(propylcarbamoylamino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7802960

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate (CID 2607035) is [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate is CCCNC(=O)NC(=O)COC(=O)c1ccc(CC)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate?
The InChIKey is QDPBGDAWVPKDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-9-16-15(20)17-13(18)10-21-14(19)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate has a molecular weight of 292.34 g/mol, XLogP of 1.64, 6 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] 4-ethylbenzoate is sourced from PubChem (CID 2607035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).