ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate

C20H23NO5 — CID 7045143

IUPACethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)COc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-20(23)13-18(15-9-11-16(24-2)12-10-15)21-19(22)14-26-17-7-5-4-6-8-17/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyYZCOTFFPAZOTES-SFHVURJKSA-N
MW357.41 g/mol
LogP2.88
Rot. Bonds9

About ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate

ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate (PubChem CID 7045143) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
PubChem CID7045143
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Nameethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
SMILESCCOC(=O)C[C@H](NC(=O)COc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO5/c1-3-25-20(23)13-18(15-9-11-16(24-2)12-10-15)21-19(22)14-26-17-7-5-4-6-8-17/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyYZCOTFFPAZOTES-SFHVURJKSA-N
XLogP2.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
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
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
methyl 3-[[2-(4-acetylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 46637572
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
The IUPAC name of ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate (CID 7045143) is ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate.
What is the SMILES notation for ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
The canonical SMILES for ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate is CCOC(=O)C[C@H](NC(=O)COc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
The InChIKey is YZCOTFFPAZOTES-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-25-20(23)13-18(15-9-11-16(24-2)12-10-15)21-19(22)14-26-17-7-5-4-6-8-17/h4-12,18H,3,13-14H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate has a molecular weight of 357.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate is sourced from PubChem (CID 7045143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).