methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate

C20H23NO4 — CID 78878045

IUPACmethyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)COc1ccccc1-c1ccccc1)C(C)C
InChIInChI=1S/C20H23NO4/c1-15(2)21(13-20(23)24-3)19(22)14-25-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyGUIRXMKOJHEZFU-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.14
Rot. Bonds7

About methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate

methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate (PubChem CID 78878045) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
PubChem CID78878045
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namemethyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)COc1ccccc1-c1ccccc1)C(C)C
InChIInChI=1S/C20H23NO4/c1-15(2)21(13-20(23)24-3)19(22)14-25-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
InChIKeyGUIRXMKOJHEZFU-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-phenylphenyl)acetyl]-propan-2-ylamino]acetate
CID 78878003
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198036
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
[(2R)-1-amino-1-oxopropan-2-yl] 2-(2-phenylphenoxy)acetate
CID 8919855
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate (CID 78878045) is methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)COc1ccccc1-c1ccccc1)C(C)C.
What is the InChIKey of methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate?
The InChIKey is GUIRXMKOJHEZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(2)21(13-20(23)24-3)19(22)14-25-18-12-8-7-11-17(18)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3.
What are the key properties of methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate?
methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate has a molecular weight of 341.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 78878045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).