[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate

C23H19NO5 — CID 7789739

IUPAC[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(O)c2)c2ccccc2)c1
InChIInChI=1S/C23H19NO5/c1-15(25)17-9-5-11-19(13-17)24-22(27)21(16-7-3-2-4-8-16)29-23(28)18-10-6-12-20(26)14-18/h2-14,21,26H,1H3,(H,24,27)/t21-/m0/s1
InChIKeyGLZWULXZUKVSKC-NRFANRHFSA-N
MW389.41 g/mol
LogP4.13
Rot. Bonds6

About [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate (PubChem CID 7789739) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate.

Molecular Properties

Compound Name[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
PubChem CID7789739
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
SMILESCC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(O)c2)c2ccccc2)c1
InChIInChI=1S/C23H19NO5/c1-15(25)17-9-5-11-19(13-17)24-22(27)21(16-7-3-2-4-8-16)29-23(28)18-10-6-12-20(26)14-18/h2-14,21,26H,1H3,(H,24,27)/t21-/m0/s1
InChIKeyGLZWULXZUKVSKC-NRFANRHFSA-N
XLogP4.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 2342428
[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7789747
[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate
CID 8814152
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1H-indole-2-carboxylate
CID 7713467
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 16570945
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7478355
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 16508788
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1H-indole-3-carboxylate
CID 8606163
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] pentanoate
CID 16540185
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-hydroxybenzoate
CID 2624663

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate?
The IUPAC name of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate (CID 7789739) is [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate.
What is the SMILES notation for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate?
The canonical SMILES for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate is CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(O)c2)c2ccccc2)c1.
What is the InChIKey of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate?
The InChIKey is GLZWULXZUKVSKC-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19NO5/c1-15(25)17-9-5-11-19(13-17)24-22(27)21(16-7-3-2-4-8-16)29-23(28)18-10-6-12-20(26)14-18/h2-14,21,26H,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate?
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate has a molecular weight of 389.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate is sourced from PubChem (CID 7789739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).