[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate

C22H19NO4 — CID 2624833

IUPAC[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO4/c1-15(27-22(26)17-11-13-18(24)14-12-17)21(25)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15,24H,1H3,(H,23,25)/t15-/m0/s1
InChIKeySFKGYTJRPVUBKK-HNNXBMFYSA-N
MW361.40 g/mol
LogP4.24
Rot. Bonds5

About [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate (PubChem CID 2624833) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate
PubChem CID2624833
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate
SMILESC[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H19NO4/c1-15(27-22(26)17-11-13-18(24)14-12-17)21(25)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15,24H,1H3,(H,23,25)/t15-/m0/s1
InChIKeySFKGYTJRPVUBKK-HNNXBMFYSA-N
XLogP4.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-(tetrazol-1-yl)benzoate
CID 7500748
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 2556731
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 46811447
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 7477826
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7209466
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] quinoline-2-carboxylate
CID 7812711
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 2527908
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 5-methylthiophene-2-carboxylate
CID 7859553
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-but-2-enoate
CID 7698882
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] pyrazine-2-carboxylate
CID 7985625
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-methylquinoline-4-carboxylate
CID 7351467
[1-oxo-1-(2-phenylanilino)propan-2-yl] 4-methoxy-3-(propan-2-ylsulfamoyl)benzoate
CID 42986774

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate?
The IUPAC name of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate (CID 2624833) is [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate.
What is the SMILES notation for [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate?
The canonical SMILES for [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate is C[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate?
The InChIKey is SFKGYTJRPVUBKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-15(27-22(26)17-11-13-18(24)14-12-17)21(25)23-20-10-6-5-9-19(20)16-7-3-2-4-8-16/h2-15,24H,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate?
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate has a molecular weight of 361.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate is sourced from PubChem (CID 2624833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).