(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate

C16H15NO4 — CID 7949384

IUPAC(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
SMILESNC(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H15NO4/c17-15(18)11-21-16(19)14-9-5-4-6-12(14)10-20-13-7-2-1-3-8-13/h1-9H,10-11H2,(H2,17,18)
InChIKeyFBRJEPCZHVYMRI-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.91
Rot. Bonds6

About (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate

(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate (PubChem CID 7949384) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
PubChem CID7949384
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
SMILESNC(=O)COC(=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C16H15NO4/c17-15(18)11-21-16(19)14-9-5-4-6-12(14)10-20-13-7-2-1-3-8-13/h1-9H,10-11H2,(H2,17,18)
InChIKeyFBRJEPCZHVYMRI-UHFFFAOYSA-N
XLogP1.91
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(phenoxymethyl)benzoate
CID 14674220
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(phenoxymethyl)benzoate
CID 7949334
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
[2-(2-chloroanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653462
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 18105543
(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate
CID 16520775
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949391
[2-(1-adamantylamino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653449
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 16520788
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
1,3-benzothiazol-2-ylmethyl 2-(phenoxymethyl)benzoate
CID 7653236
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949320

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate (CID 7949384) is (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate is NC(=O)COC(=O)c1ccccc1COc1ccccc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate?
The InChIKey is FBRJEPCZHVYMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c17-15(18)11-21-16(19)14-9-5-4-6-12(14)10-20-13-7-2-1-3-8-13/h1-9H,10-11H2,(H2,17,18).
What are the key properties of (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate?
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate has a molecular weight of 285.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 7949384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).