[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate

C16H20F2N2O5 — CID 2691716

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H20F2N2O5/c1-10(2)7-8-19-16(23)20-13(21)9-24-14(22)11-5-3-4-6-12(11)25-15(17)18/h3-6,10,15H,7-9H2,1-2H3,(H2,19,20,21,23)
InChIKeyIAPYXXFOHMINNX-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.32
Rot. Bonds8

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate (PubChem CID 2691716) has the molecular formula C16H20F2N2O5 and a molecular weight of 358.34 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
PubChem CID2691716
Molecular FormulaC16H20F2N2O5
Molecular Weight358.34 g/mol
Exact Mass358.13
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H20F2N2O5/c1-10(2)7-8-19-16(23)20-13(21)9-24-14(22)11-5-3-4-6-12(11)25-15(17)18/h3-6,10,15H,7-9H2,1-2H3,(H2,19,20,21,23)
InChIKeyIAPYXXFOHMINNX-UHFFFAOYSA-N
XLogP2.32
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327251
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
CID 8539985
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 2487293
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609118
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2629654
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611623
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614821
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2630424

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate (CID 2691716) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate is CC(C)CCNC(=O)NC(=O)COC(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is IAPYXXFOHMINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O5/c1-10(2)7-8-19-16(23)20-13(21)9-24-14(22)11-5-3-4-6-12(11)25-15(17)18/h3-6,10,15H,7-9H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 358.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 2691716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).