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

C20H23NO4 — CID 2498353

IUPAC[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
SMILESCCC[C@H](C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H23NO4/c1-3-9-15(2)21-19(22)14-24-20(23)17-12-7-8-13-18(17)25-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyXDDUMFZAZLXIBF-HNNXBMFYSA-N
MW341.41 g/mol
LogP3.94
Rot. Bonds8

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

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate (PubChem CID 2498353) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
PubChem CID2498353
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
SMILESCCC[C@H](C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H23NO4/c1-3-9-15(2)21-19(22)14-24-20(23)17-12-7-8-13-18(17)25-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyXDDUMFZAZLXIBF-HNNXBMFYSA-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-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 9199889
[2-(ethylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2498337
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-phenoxybenzoate
CID 2511439
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7853291
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-phenoxybenzoate
CID 7760656
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-phenoxybenzoate
CID 7760857
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 18081778
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(3,4-diethoxybenzoyl)benzoate
CID 16544390

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate?
The IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate (CID 2498353) is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate is CCC[C@H](C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate?
The InChIKey is XDDUMFZAZLXIBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-9-15(2)21-19(22)14-24-20(23)17-12-7-8-13-18(17)25-16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate?
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-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-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2498353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).