[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate

C18H17NO5 — CID 11500814

IUPAC[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate
SMILESCC(=O)OC(OC(C)=O)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H17NO5/c1-12(20)23-18(24-13(2)21)17(22)19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,18H,1-2H3,(H,19,22)
InChIKeyIVFZCUOYCHCLBY-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.74
Rot. Bonds5

About [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate

[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate (PubChem CID 11500814) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate.

Molecular Properties

Compound Name[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate
PubChem CID11500814
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate
SMILESCC(=O)OC(OC(C)=O)C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H17NO5/c1-12(20)23-18(24-13(2)21)17(22)19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,18H,1-2H3,(H,19,22)
InChIKeyIVFZCUOYCHCLBY-UHFFFAOYSA-N
XLogP2.74
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
(1-acetyloxy-2-anilino-2-oxoethyl) acetate
CID 177149111
2-methylsulfanyl-N-(2-phenylphenyl)propanamide
CID 43077390
[1-oxo-1-(2-phenylanilino)propan-2-yl] cyclobutanecarboxylate
CID 42900719
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-but-2-enoate
CID 7698882
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454551
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] (1S)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 9454550
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
(2S)-2-(4-acetylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7763807
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate
CID 2624833
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293

Frequently Asked Questions

What is the IUPAC name of [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate?
The IUPAC name of [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate (CID 11500814) is [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate.
What is the SMILES notation for [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate?
The canonical SMILES for [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate is CC(=O)OC(OC(C)=O)C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate?
The InChIKey is IVFZCUOYCHCLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-12(20)23-18(24-13(2)21)17(22)19-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,18H,1-2H3,(H,19,22).
What are the key properties of [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate?
[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate has a molecular weight of 327.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate is sourced from PubChem (CID 11500814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).