[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate

C21H25NO4 — CID 8580616

IUPAC[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-6-8-17(9-7-16)15(3)22-20(23)14-26-21(24)18-10-12-19(13-11-18)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyXLPPTOHKOWTETB-OAHLLOKOSA-N
MW355.43 g/mol
LogP3.68
Rot. Bonds8

About [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate

[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate (PubChem CID 8580616) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
PubChem CID8580616
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-4-16-6-8-17(9-7-16)15(3)22-20(23)14-26-21(24)18-10-12-19(13-11-18)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyXLPPTOHKOWTETB-OAHLLOKOSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 7758120
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 95181177
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 50929640
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 55318318
[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 4-butoxybenzoate
CID 50929534
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2645754
N-[1-(4-ethylphenyl)ethyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 110876929
2-(4-acetylphenoxy)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51295837
N-[1-(4-ethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17326918

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate?
The IUPAC name of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate (CID 8580616) is [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(CC)cc2)cc1.
What is the InChIKey of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate?
The InChIKey is XLPPTOHKOWTETB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-16-6-8-17(9-7-16)15(3)22-20(23)14-26-21(24)18-10-12-19(13-11-18)25-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate?
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate has a molecular weight of 355.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate is sourced from PubChem (CID 8580616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).