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

C21H25NO5 — CID 2599347

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)22-19(23)14-27-20(24)15-26-18-11-9-17(10-12-18)25-13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,23)
InChIKeyRXDNEYWZVDPWMG-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.10
Rot. Bonds8

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

[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 2599347) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID2599347
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)22-19(23)14-27-20(24)15-26-18-11-9-17(10-12-18)25-13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,23)
InChIKeyRXDNEYWZVDPWMG-UHFFFAOYSA-N
XLogP3.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575023
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-(3-methylphenoxy)acetate
CID 7853518
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methyl-(2-phenylethyl)azanium
CID 2214441
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 2599347) is [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is CC(C)(C)NC(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is RXDNEYWZVDPWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2,3)22-19(23)14-27-20(24)15-26-18-11-9-17(10-12-18)25-13-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,22,23).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 371.43 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 2599347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).