[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

C14H16Cl3NO4 — CID 8785732

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H16Cl3NO4/c1-14(2,3)18-12(19)6-22-13(20)7-21-11-5-9(16)8(15)4-10(11)17/h4-5H,6-7H2,1-3H3,(H,18,19)
InChIKeyDYHVCFFPLAADAN-UHFFFAOYSA-N
MW368.64 g/mol
LogP3.48
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 8785732) has the molecular formula C14H16Cl3NO4 and a molecular weight of 368.64 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID8785732
Molecular FormulaC14H16Cl3NO4
Molecular Weight368.64 g/mol
Exact Mass367.01
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H16Cl3NO4/c1-14(2,3)18-12(19)6-22-13(20)7-21-11-5-9(16)8(15)4-10(11)17/h4-5H,6-7H2,1-3H3,(H,18,19)
InChIKeyDYHVCFFPLAADAN-UHFFFAOYSA-N
XLogP3.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.64
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 119524297
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785756
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 7999915
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23825650
amino 2-(2,4,5-trichlorophenoxy)acetate
CID 56607198
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 23818620
2-acetamidoethyl 2-(2,4,5-trichlorophenoxy)acetate
CID 8933011
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(2,4,5-trichlorophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81340218
[2-(2-nitroanilino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 5226542

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate (CID 8785732) is [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is CC(C)(C)NC(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is DYHVCFFPLAADAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3NO4/c1-14(2,3)18-12(19)6-22-13(20)7-21-11-5-9(16)8(15)4-10(11)17/h4-5H,6-7H2,1-3H3,(H,18,19).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 368.64 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 8785732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).