[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate

C22H19NO4 — CID 2498436

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H19NO4/c1-16(21(24)23-17-10-4-2-5-11-17)26-22(25)19-14-8-9-15-20(19)27-18-12-6-3-7-13-18/h2-16H,1H3,(H,23,24)/t16-/m0/s1
InChIKeyNOSSUVGCMJJXQO-INIZCTEOSA-N
MW361.40 g/mol
LogP4.66
Rot. Bonds6

About [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate

[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate (PubChem CID 2498436) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
PubChem CID2498436
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
SMILESC[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C22H19NO4/c1-16(21(24)23-17-10-4-2-5-11-17)26-22(25)19-14-8-9-15-20(19)27-18-12-6-3-7-13-18/h2-16H,1H3,(H,23,24)/t16-/m0/s1
InChIKeyNOSSUVGCMJJXQO-INIZCTEOSA-N
XLogP4.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 8921710
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[(2S)-1-amino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498474
[(2S)-1-anilino-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509622
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7950334
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 4791857
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-phenoxybenzoate
CID 8648873
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-phenoxybenzoate
CID 7838042
[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949676
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609616
[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 2-[(S)-ethylsulfinyl]benzoate
CID 51616553
(4-acetamidophenyl) 2-phenoxybenzoate
CID 26188165

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate (CID 2498436) is [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate is C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate?
The InChIKey is NOSSUVGCMJJXQO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H19NO4/c1-16(21(24)23-17-10-4-2-5-11-17)26-22(25)19-14-8-9-15-20(19)27-18-12-6-3-7-13-18/h2-16H,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate?
[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate has a molecular weight of 361.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate is sourced from PubChem (CID 2498436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).