(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate

C16H15NO4 — CID 2607609

IUPAC(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
SMILESNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c17-15(18)11-21-16(19)13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,18)
InChIKeyQINFNBPYNKKZQO-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.91
Rot. Bonds6

About (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate

(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate (PubChem CID 2607609) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
PubChem CID2607609
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
SMILESNC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c17-15(18)11-21-16(19)13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,18)
InChIKeyQINFNBPYNKKZQO-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

[2-(methylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264093
[2-(diethylamino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 55307289
(2-benzamido-2-oxoethyl) 4-phenylmethoxybenzoate
CID 7264153
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
2-methylpropyl 4-phenylmethoxybenzoate
CID 19702441
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 4-hydroxybenzoate
CID 2426200
4-phenylmethoxybenzoic acid
CID 68896574
[2-oxo-2-(prop-2-enylamino)ethyl] 4-phenylmethoxybenzoate
CID 2607556
2,3-dihydroxypropyl 4-phenylmethoxybenzoate
CID 71423626
(2-morpholin-4-yl-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607617
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7264252
(2-amino-2-oxoethyl) 4-[4-(2-amino-2-oxoethoxy)carbonylphenoxy]benzoate
CID 3923903

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate (CID 2607609) is (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate is NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate?
The InChIKey is QINFNBPYNKKZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c17-15(18)11-21-16(19)13-6-8-14(9-7-13)20-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,17,18).
What are the key properties of (2-amino-2-oxoethyl) 4-phenylmethoxybenzoate?
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate 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) 4-phenylmethoxybenzoate is sourced from PubChem (CID 2607609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).