[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate

C24H21NO5 — CID 8814152

IUPAC[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate
SMILESCC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)c1
InChIInChI=1S/C24H21NO5/c1-15-8-6-13-20(21(15)27)24(29)30-22(17-9-4-3-5-10-17)23(28)25-19-12-7-11-18(14-19)16(2)26/h3-14,22,27H,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyDNEWRIZHUFWAEX-JOCHJYFZSA-N
MW403.43 g/mol
LogP4.44
Rot. Bonds6

About [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate

[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate (PubChem CID 8814152) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate
PubChem CID8814152
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate
SMILESCC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)c1
InChIInChI=1S/C24H21NO5/c1-15-8-6-13-20(21(15)27)24(29)30-22(17-9-4-3-5-10-17)23(28)25-19-12-7-11-18(14-19)16(2)26/h3-14,22,27H,1-2H3,(H,25,28)/t22-/m1/s1
InChIKeyDNEWRIZHUFWAEX-JOCHJYFZSA-N
XLogP4.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-hydroxybenzoate
CID 7789739
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-methylquinoline-4-carboxylate
CID 16508788
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 4-bromobenzoate
CID 2342428
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1H-indole-3-carboxylate
CID 8606163
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 16570945
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1H-indole-2-carboxylate
CID 7713467
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 2-chlorobenzoate
CID 2406103
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] pentanoate
CID 16540185
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7980213
[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2407466
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 8815234

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate?
The IUPAC name of [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate (CID 8814152) is [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate is CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(C)c2O)c2ccccc2)c1.
What is the InChIKey of [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate?
The InChIKey is DNEWRIZHUFWAEX-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21NO5/c1-15-8-6-13-20(21(15)27)24(29)30-22(17-9-4-3-5-10-17)23(28)25-19-12-7-11-18(14-19)16(2)26/h3-14,22,27H,1-2H3,(H,25,28)/t22-/m1/s1.
What are the key properties of [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate?
[(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate has a molecular weight of 403.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 8814152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).