3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid

C20H23NO5 — CID 120700980

IUPAC3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCCOc1ccc(OCC(=O)NCC(C)(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-16-9-11-17(12-10-16)26-13-18(22)21-14-20(2,19(23)24)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyXMCMTRDJRHHILE-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.62
Rot. Bonds9

About 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid

3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid (PubChem CID 120700980) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
PubChem CID120700980
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
SMILESCCOc1ccc(OCC(=O)NCC(C)(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-16-9-11-17(12-10-16)26-13-18(22)21-14-20(2,19(23)24)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyXMCMTRDJRHHILE-UHFFFAOYSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methoxy-4-nitrophenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700763
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenoxy)acetamide
CID 66170410
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-ethoxyphenoxy)acetamide
CID 90499308
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150
3-(hexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700832
3-acetamido-2-methyl-2-phenylpropanoic acid
CID 120701382
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
N-[2,2-dimethyl-3-(methylamino)propyl]-2-phenoxyacetamide
CID 115267300
3-(2-ethoxypropanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120701331
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid (CID 120700980) is 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid is CCOc1ccc(OCC(=O)NCC(C)(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
The InChIKey is XMCMTRDJRHHILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-25-16-9-11-17(12-10-16)26-13-18(22)21-14-20(2,19(23)24)15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid?
3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid has a molecular weight of 357.41 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 120700980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).