[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate

C14H16F2N2O5 — CID 2612537

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H16F2N2O5/c1-2-7-17-14(21)18-11(19)8-22-12(20)9-3-5-10(6-4-9)23-13(15)16/h3-6,13H,2,7-8H2,1H3,(H2,17,18,19,21)
InChIKeyLQWMOTBQWNYOOX-UHFFFAOYSA-N
MW330.29 g/mol
LogP1.68
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate

[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate (PubChem CID 2612537) has the molecular formula C14H16F2N2O5 and a molecular weight of 330.29 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
PubChem CID2612537
Molecular FormulaC14H16F2N2O5
Molecular Weight330.29 g/mol
Exact Mass330.10
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate
SMILESCCCNC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H16F2N2O5/c1-2-7-17-14(21)18-11(19)8-22-12(20)9-3-5-10(6-4-9)23-13(15)16/h3-6,13H,2,7-8H2,1H3,(H2,17,18,19,21)
InChIKeyLQWMOTBQWNYOOX-UHFFFAOYSA-N
XLogP1.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-(methylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 7569623
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7807585
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 16520375
[2-(butylcarbamoylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 26728415
[2-(butylcarbamoylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 8951883
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-methoxybenzoate
CID 7703073
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-ethoxybenzoate
CID 8580671
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate
CID 8619206
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 35210031

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate (CID 2612537) is [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate is CCCNC(=O)NC(=O)COC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate?
The InChIKey is LQWMOTBQWNYOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O5/c1-2-7-17-14(21)18-11(19)8-22-12(20)9-3-5-10(6-4-9)23-13(15)16/h3-6,13H,2,7-8H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate has a molecular weight of 330.29 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 2612537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).