[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C21H19NO4 — CID 2365439

IUPAC[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2ccccc2c1)NCc1ccccc1
InChIInChI=1S/C21H19NO4/c23-20(22-13-16-6-2-1-3-7-16)14-26-21(24)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,23)
InChIKeyOFAQQDMEYMBEJZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.08
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 2365439) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID2365439
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESO=C(COC(=O)COc1ccc2ccccc2c1)NCc1ccccc1
InChIInChI=1S/C21H19NO4/c23-20(22-13-16-6-2-1-3-7-16)14-26-21(24)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,23)
InChIKeyOFAQQDMEYMBEJZ-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583275
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-phenoxyacetate
CID 2506688
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 9491672
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
benzyl N-[(2-naphthalen-2-yloxyacetyl)amino]carbamate
CID 4935803

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 2365439) is [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is O=C(COC(=O)COc1ccc2ccccc2c1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is OFAQQDMEYMBEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-20(22-13-16-6-2-1-3-7-16)14-26-21(24)15-25-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,23).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 349.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 2365439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).