[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate

C14H17F2NO4 — CID 55327251

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2NO4/c1-9(2)7-17-12(18)8-20-13(19)10-5-3-4-6-11(10)21-14(15)16/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)
InChIKeyGNYJNWVAHMUQLA-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.22
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate

[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate (PubChem CID 55327251) has the molecular formula C14H17F2NO4 and a molecular weight of 301.29 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
PubChem CID55327251
Molecular FormulaC14H17F2NO4
Molecular Weight301.29 g/mol
Exact Mass301.11
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCC(C)CNC(=O)COC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2NO4/c1-9(2)7-17-12(18)8-20-13(19)10-5-3-4-6-11(10)21-14(15)16/h3-6,9,14H,7-8H2,1-2H3,(H,17,18)
InChIKeyGNYJNWVAHMUQLA-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691716
[2-(2-methylpropylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969697
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609118
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691757
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 7609921
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 8581015
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 18078024
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2647794
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(difluoromethoxy)benzoate
CID 8539985
[2-(2-methylpropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080442
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate (CID 55327251) is [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate is CC(C)CNC(=O)COC(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is GNYJNWVAHMUQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4/c1-9(2)7-17-12(18)8-20-13(19)10-5-3-4-6-11(10)21-14(15)16/h3-6,9,14H,7-8H2,1-2H3,(H,17,18).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 301.29 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55327251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).