methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate

C19H21NO5 — CID 18121206

IUPACmethyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)COc1ccccc1OC)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-23-16-10-6-7-11-17(16)25-13-18(21)20-15(12-19(22)24-2)14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,20,21)
InChIKeyOUORRISQEPFRLM-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.49
Rot. Bonds8

About methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate

methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate (PubChem CID 18121206) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
PubChem CID18121206
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)CC(NC(=O)COc1ccccc1OC)c1ccccc1
InChIInChI=1S/C19H21NO5/c1-23-16-10-6-7-11-17(16)25-13-18(21)20-15(12-19(22)24-2)14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,20,21)
InChIKeyOUORRISQEPFRLM-UHFFFAOYSA-N
XLogP2.49
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893
3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3938884
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 7045109
methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 46637572

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate (CID 18121206) is methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate is COC(=O)CC(NC(=O)COc1ccccc1OC)c1ccccc1.
What is the InChIKey of methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
The InChIKey is OUORRISQEPFRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-16-10-6-7-11-17(16)25-13-18(21)20-15(12-19(22)24-2)14-8-4-3-5-9-14/h3-11,15H,12-13H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate?
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate has a molecular weight of 343.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 18121206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).