[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate

C20H23NO4 — CID 2511439

IUPAC[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-3-8-15(2)21-19(22)14-24-20(23)16-9-7-12-18(13-16)25-17-10-5-4-6-11-17/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyJLJJFFGONIPEKX-OAHLLOKOSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds8

About [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate (PubChem CID 2511439) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
PubChem CID2511439
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
SMILESCCC[C@@H](C)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-3-8-15(2)21-19(22)14-24-20(23)16-9-7-12-18(13-16)25-17-10-5-4-6-11-17/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,21,22)/t15-/m1/s1
InChIKeyJLJJFFGONIPEKX-OAHLLOKOSA-N
XLogP3.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(pentan-2-ylamino)ethyl] 4-phenoxybenzoate
CID 18073988
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-phenoxybenzoate
CID 9081631
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247756
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 3-(benzenesulfonamido)benzoate
CID 7247757
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-pyrrol-1-ylbenzoate
CID 18199730
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241
(2-anilino-2-oxoethyl) 3-phenoxybenzoate
CID 2511602
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-(ethylsulfamoyl)benzoate
CID 42900495

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate?
The IUPAC name of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate (CID 2511439) is [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate is CCC[C@@H](C)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate?
The InChIKey is JLJJFFGONIPEKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-8-15(2)21-19(22)14-24-20(23)16-9-7-12-18(13-16)25-17-10-5-4-6-11-17/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate?
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate is sourced from PubChem (CID 2511439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).