[2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

C14H17Cl2NO3 — CID 2416308

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCC(C)(C)NC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-14(2,3)17-12(18)8-20-13(19)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyLCZDGDQBHRRPQC-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.99
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (PubChem CID 2416308) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
PubChem CID2416308
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
SMILESCC(C)(C)NC(=O)COC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H17Cl2NO3/c1-14(2,3)17-12(18)8-20-13(19)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,18)
InChIKeyLCZDGDQBHRRPQC-UHFFFAOYSA-N
XLogP2.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate (CID 2416308) is [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is CC(C)(C)NC(=O)COC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
The InChIKey is LCZDGDQBHRRPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-14(2,3)17-12(18)8-20-13(19)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H,17,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate has a molecular weight of 318.20 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 2416308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).