[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate

C24H23NO5 — CID 8921710

IUPAC[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
SMILESC[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H23NO5/c1-18(23(26)25-19-10-4-2-5-11-19)30-24(27)21-14-8-9-15-22(21)29-17-16-28-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,25,26)/t18-/m0/s1
InChIKeyKZHBGDCSPIXTRS-SFHVURJKSA-N
MW405.45 g/mol
LogP4.33
Rot. Bonds9

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

[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate (PubChem CID 8921710) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
PubChem CID8921710
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
SMILESC[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H23NO5/c1-18(23(26)25-19-10-4-2-5-11-19)30-24(27)21-14-8-9-15-22(21)29-17-16-28-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,25,26)/t18-/m0/s1
InChIKeyKZHBGDCSPIXTRS-SFHVURJKSA-N
XLogP4.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-anilino-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 2498436
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 2595758
[(2S)-1-anilino-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 9139840
(4-acetamidophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012077
[(2S)-1-anilino-1-oxopropan-2-yl] 2-iodobenzoate
CID 2509622
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 2605686
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606094
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120
(1-anilino-1-oxopropan-2-yl) 4-hexoxybenzoate
CID 5078511
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(phenoxymethyl)benzoate
CID 7653379
N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 17189376

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate (CID 8921710) is [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate is C[C@H](OC(=O)c1ccccc1OCCOc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
The InChIKey is KZHBGDCSPIXTRS-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23NO5/c1-18(23(26)25-19-10-4-2-5-11-19)30-24(27)21-14-8-9-15-22(21)29-17-16-28-20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,25,26)/t18-/m0/s1.
What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate?
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate has a molecular weight of 405.45 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-anilino-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 8921710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).