[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate

C14H20N2O4 — CID 61320779

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)16-12(17)8-20-13(18)9-19-11-6-4-5-10(15)7-11/h4-7H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyGWFMDWJKZIVKPZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.11
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate (PubChem CID 61320779) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
PubChem CID61320779
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
SMILESCC(C)(C)NC(=O)COC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)16-12(17)8-20-13(18)9-19-11-6-4-5-10(15)7-11/h4-7H,8-9,15H2,1-3H3,(H,16,17)
InChIKeyGWFMDWJKZIVKPZ-UHFFFAOYSA-N
XLogP1.11
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(2,2-dimethylbutyl)acetamide
CID 103459940
2-[3-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetic acid
CID 61398227
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate (CID 61320779) is [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate is CC(C)(C)NC(=O)COC(=O)COc1cccc(N)c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate?
The InChIKey is GWFMDWJKZIVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)16-12(17)8-20-13(18)9-19-11-6-4-5-10(15)7-11/h4-7H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate has a molecular weight of 280.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61320779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).