methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate

C15H21NO4 — CID 30875979

IUPACmethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate
SMILESCCc1ccc(OCC(=O)NC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C15H21NO4/c1-5-11-6-8-12(9-7-11)20-10-13(17)16-15(2,3)14(18)19-4/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyWTEDQBPWOILFHY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds6

About methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate

methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate (PubChem CID 30875979) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate
PubChem CID30875979
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate
SMILESCCc1ccc(OCC(=O)NC(C)(C)C(=O)OC)cc1
InChIInChI=1S/C15H21NO4/c1-5-11-6-8-12(9-7-11)20-10-13(17)16-15(2,3)14(18)19-4/h6-9H,5,10H2,1-4H3,(H,16,17)
InChIKeyWTEDQBPWOILFHY-UHFFFAOYSA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-ethylphenoxy)acetamide;hydrochloride
CID 119597780
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-methylpropanoate
CID 30886774
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
1-(4-ethylphenoxy)propan-2-one
CID 21325379
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate (CID 30875979) is methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate is CCc1ccc(OCC(=O)NC(C)(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate?
The InChIKey is WTEDQBPWOILFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-11-6-8-12(9-7-11)20-10-13(17)16-15(2,3)14(18)19-4/h6-9H,5,10H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate?
methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 30875979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).