methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate

C16H23NO4 — CID 100627144

IUPACmethyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
SMILESCCC(CC)(NC(=O)COc1ccccc1C)C(=O)OC
InChIInChI=1S/C16H23NO4/c1-5-16(6-2,15(19)20-4)17-14(18)11-21-13-10-8-7-9-12(13)3/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyYRFIBMJJJAGKIS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.22
Rot. Bonds7

About methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate

methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate (PubChem CID 100627144) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
PubChem CID100627144
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
SMILESCCC(CC)(NC(=O)COc1ccccc1C)C(=O)OC
InChIInChI=1S/C16H23NO4/c1-5-16(6-2,15(19)20-4)17-14(18)11-21-13-10-8-7-9-12(13)3/h7-10H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyYRFIBMJJJAGKIS-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-methylpropanoate
CID 30886774
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 7700204
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
CID 99993393
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate?
The IUPAC name of methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate (CID 100627144) is methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate.
What is the SMILES notation for methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate?
The canonical SMILES for methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate is CCC(CC)(NC(=O)COc1ccccc1C)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate?
The InChIKey is YRFIBMJJJAGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-16(6-2,15(19)20-4)17-14(18)11-21-13-10-8-7-9-12(13)3/h7-10H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate?
methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate has a molecular weight of 293.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate is sourced from PubChem (CID 100627144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).