[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C16H20FN3O5 — CID 2997708

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O5/c1-16(2,3)20-15(24)19-12(21)9-25-13(22)8-18-14(23)10-5-4-6-11(17)7-10/h4-7H,8-9H2,1-3H3,(H,18,23)(H2,19,20,21,24)
InChIKeyXSKYPPWCOSGGMK-UHFFFAOYSA-N
MW353.35 g/mol
LogP0.72
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 2997708) has the molecular formula C16H20FN3O5 and a molecular weight of 353.35 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID2997708
Molecular FormulaC16H20FN3O5
Molecular Weight353.35 g/mol
Exact Mass353.14
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C16H20FN3O5/c1-16(2,3)20-15(24)19-12(21)9-25-13(22)8-18-14(23)10-5-4-6-11(17)7-10/h4-7H,8-9H2,1-3H3,(H,18,23)(H2,19,20,21,24)
InChIKeyXSKYPPWCOSGGMK-UHFFFAOYSA-N
XLogP0.72
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 2997708) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is XSKYPPWCOSGGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O5/c1-16(2,3)20-15(24)19-12(21)9-25-13(22)8-18-14(23)10-5-4-6-11(17)7-10/h4-7H,8-9H2,1-3H3,(H,18,23)(H2,19,20,21,24).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 353.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2997708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).