3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate

C20H22NO5- — CID 3466163

IUPAC3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
SMILESCCOc1ccc(C(CC(=O)[O-])NC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO5/c1-3-26-17-10-9-15(12-18(17)25-2)16(13-20(23)24)21-19(22)11-14-7-5-4-6-8-14/h4-10,12,16H,3,11,13H2,1-2H3,(H,21,22)(H,23,24)/p-1
InChIKeyRQGVWRJQTSUSJZ-UHFFFAOYSA-M
MW356.40 g/mol
LogP1.63
Rot. Bonds9

About 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate

3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate (PubChem CID 3466163) has the molecular formula C20H22NO5- and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
PubChem CID3466163
Molecular FormulaC20H22NO5-
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
SMILESCCOc1ccc(C(CC(=O)[O-])NC(=O)Cc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO5/c1-3-26-17-10-9-15(12-18(17)25-2)16(13-20(23)24)21-19(22)11-14-7-5-4-6-8-14/h4-10,12,16H,3,11,13H2,1-2H3,(H,21,22)(H,23,24)/p-1
InChIKeyRQGVWRJQTSUSJZ-UHFFFAOYSA-M
XLogP1.63
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
CID 3465786
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-nitrobenzoyl)amino]propanoate
CID 7291212
3-acetamido-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 5121115
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067
(3S)-3-[(2-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 1271460
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate (CID 3466163) is 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate is CCOc1ccc(C(CC(=O)[O-])NC(=O)Cc2ccccc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate?
The InChIKey is RQGVWRJQTSUSJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23NO5/c1-3-26-17-10-9-15(12-18(17)25-2)16(13-20(23)24)21-19(22)11-14-7-5-4-6-8-14/h4-10,12,16H,3,11,13H2,1-2H3,(H,21,22)(H,23,24)/p-1.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate?
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate has a molecular weight of 356.40 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate is sourced from PubChem (CID 3466163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).