[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate

C16H15NO4 — CID 175111678

IUPAC[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate
SMILESCNC(OC(=O)c1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H15NO4/c1-17-14(16(19)20-13-10-6-3-7-11-13)21-15(18)12-8-4-2-5-9-12/h2-11,14,17H,1H3
InChIKeyUYTKGNGUSQCSRE-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.99
Rot. Bonds5

About [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate

[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate (PubChem CID 175111678) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate.

Molecular Properties

Compound Name[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate
PubChem CID175111678
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate
SMILESCNC(OC(=O)c1ccccc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H15NO4/c1-17-14(16(19)20-13-10-6-3-7-11-13)21-15(18)12-8-4-2-5-9-12/h2-11,14,17H,1H3
InChIKeyUYTKGNGUSQCSRE-UHFFFAOYSA-N
XLogP1.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-2-phenoxy-1-phenylethyl) benzoate
CID 57212874
[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
CID 162818343
propan-2-yl 4-benzoyloxybenzoate
CID 17160844
(Z)-but-2-enedioic acid;phenyl benzoate
CID 172830010
2-(methylamino)-2-phenoxyacetic acid
CID 150857951
phenyl (2S)-2-methoxypropanoate
CID 12621314
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
[2-ethoxy-2-oxo-1-(propylamino)ethyl] benzoate
CID 175115899
cobalt(2+);phenyl benzoate;diacetate
CID 163661272
phenyl 2-(hydroxyamino)propanoate
CID 88707618
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
1-formamidoethyl benzoate
CID 175311780

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate?
The IUPAC name of [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate (CID 175111678) is [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate.
What is the SMILES notation for [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate?
The canonical SMILES for [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate is CNC(OC(=O)c1ccccc1)C(=O)Oc1ccccc1.
What is the InChIKey of [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate?
The InChIKey is UYTKGNGUSQCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-17-14(16(19)20-13-10-6-3-7-11-13)21-15(18)12-8-4-2-5-9-12/h2-11,14,17H,1H3.
What are the key properties of [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate?
[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate has a molecular weight of 285.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate is sourced from PubChem (CID 175111678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).