[2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

C14H18ClNO3 — CID 2416174

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC(C)(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-14(2,3)16-12(17)9-19-13(18)8-10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyLYOSSGQELAAFKF-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.34
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (PubChem CID 2416174) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
PubChem CID2416174
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
SMILESCC(C)(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO3/c1-14(2,3)16-12(17)9-19-13(18)8-10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyLYOSSGQELAAFKF-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.34
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-(4-chlorophenyl)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate (CID 2416174) is [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate is CC(C)(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is LYOSSGQELAAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(2,3)16-12(17)9-19-13(18)8-10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 283.75 g/mol, XLogP of 2.34, 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-(4-chlorophenyl)acetate is sourced from PubChem (CID 2416174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).