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

C15H21NO4 — CID 8910462

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(8-11)19-10-14(18)20-9-13(17)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyHTZKPEACBGHIAO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds5

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

[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate (PubChem CID 8910462) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
PubChem CID8910462
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(8-11)19-10-14(18)20-9-13(17)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyHTZKPEACBGHIAO-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
[2-(tert-butylamino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694703
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 41466460
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
(3,3-dimethyl-2-oxobutyl) 2-(3-methylphenoxy)acetate
CID 2358385
[2-(tert-butylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 2604812
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910451
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853538
[2-(2-bromoanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594788
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853550
3-methyl-3-[[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 64672898
propyl 2-(3-methylphenoxy)acetate
CID 78907736

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate (CID 8910462) is [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)NC(C)(C)C)c1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
The InChIKey is HTZKPEACBGHIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-6-5-7-12(8-11)19-10-14(18)20-9-13(17)16-15(2,3)4/h5-8H,9-10H2,1-4H3,(H,16,17).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate has a molecular weight of 279.34 g/mol, XLogP of 1.83, 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-(3-methylphenoxy)acetate is sourced from PubChem (CID 8910462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).