[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate

C20H23NO5 — CID 7558706

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)ccc1OC
InChIInChI=1S/C20H23NO5/c1-4-25-18-12-16(10-11-17(18)24-3)20(23)26-13-19(22)21-14(2)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyDMKOXZFRRVCPJF-CQSZACIVSA-N
MW357.41 g/mol
LogP3.13
Rot. Bonds8

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate (PubChem CID 7558706) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
PubChem CID7558706
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
SMILESCCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)ccc1OC
InChIInChI=1S/C20H23NO5/c1-4-25-18-12-16(10-11-17(18)24-3)20(23)26-13-19(22)21-14(2)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyDMKOXZFRRVCPJF-CQSZACIVSA-N
XLogP3.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate with MolForge

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Related Compounds

[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7906535
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-triethoxybenzoate
CID 7860421
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7903294
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 27722315
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 46630070
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7732618
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2662596
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558698
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate (CID 7558706) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate is CCOc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)ccc1OC.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate?
The InChIKey is DMKOXZFRRVCPJF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-25-18-12-16(10-11-17(18)24-3)20(23)26-13-19(22)21-14(2)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate is sourced from PubChem (CID 7558706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).