[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate

C21H25NO4 — CID 9229996

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)NCCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-3-18(16-9-5-4-6-10-16)21(24)26-15-20(23)22-14-13-17-11-7-8-12-19(17)25-2/h4-12,18H,3,13-15H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyMXFPNNXVXVEHAM-SFHVURJKSA-N
MW355.43 g/mol
LogP3.09
Rot. Bonds9

About [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate (PubChem CID 9229996) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
PubChem CID9229996
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
SMILESCC[C@H](C(=O)OCC(=O)NCCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-3-18(16-9-5-4-6-10-16)21(24)26-15-20(23)22-14-13-17-11-7-8-12-19(17)25-2/h4-12,18H,3,13-15H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyMXFPNNXVXVEHAM-SFHVURJKSA-N
XLogP3.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811570
[2-oxo-2-(2-phenylethylamino)ethyl] (2R)-2-phenylbutanoate
CID 7811561
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] (2R)-2-phenylbutanoate
CID 9229981
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9230008
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] (2S)-2-phenylbutanoate
CID 9230002
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate (CID 9229996) is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate is CC[C@H](C(=O)OCC(=O)NCCc1ccccc1OC)c1ccccc1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate?
The InChIKey is MXFPNNXVXVEHAM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25NO4/c1-3-18(16-9-5-4-6-10-16)21(24)26-15-20(23)22-14-13-17-11-7-8-12-19(17)25-2/h4-12,18H,3,13-15H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate?
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate has a molecular weight of 355.43 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate is sourced from PubChem (CID 9229996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).