[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate

C19H21NO4 — CID 9064756

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H21NO4/c1-23-13-16-8-5-9-17(12-16)19(22)24-14-18(21)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,20,21)
InChIKeyMFEACSOWGSLQNR-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.35
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate (PubChem CID 9064756) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate
PubChem CID9064756
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H21NO4/c1-23-13-16-8-5-9-17(12-16)19(22)24-14-18(21)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,20,21)
InChIKeyMFEACSOWGSLQNR-UHFFFAOYSA-N
XLogP2.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(3-phenylpropylamino)ethyl] 3-(methoxymethyl)benzoate
CID 33408284
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064778
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 3-(methoxymethyl)benzoate
CID 18197193
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064737
2-oxopropyl 3-(methoxymethyl)benzoate
CID 55386027
[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9065231
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
[2-oxo-2-(3-phenylpropylamino)ethyl] 3-chlorobenzoate
CID 2504142
[2-oxo-2-(2-phenylethylamino)ethyl] 4-chlorobenzoate
CID 2714989
[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
CID 3483038
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 8612523
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate
CID 8836975

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate (CID 9064756) is [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate?
The InChIKey is MFEACSOWGSLQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-13-16-8-5-9-17(12-16)19(22)24-14-18(21)20-11-10-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3,(H,20,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate?
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 9064756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).