[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

C21H19NO4 — CID 2583233

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO4/c1-22(18-9-3-2-4-10-18)20(23)14-26-21(24)15-25-19-12-11-16-7-5-6-8-17(16)13-19/h2-13H,14-15H2,1H3
InChIKeyAMDYFKWPOXLGGD-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.42
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate

[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 2583233) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID2583233
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C21H19NO4/c1-22(18-9-3-2-4-10-18)20(23)14-26-21(24)15-25-19-12-11-16-7-5-6-8-17(16)13-19/h2-13H,14-15H2,1H3
InChIKeyAMDYFKWPOXLGGD-UHFFFAOYSA-N
XLogP3.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 2583233) is [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is CN(C(=O)COC(=O)COc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is AMDYFKWPOXLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-22(18-9-3-2-4-10-18)20(23)14-26-21(24)15-25-19-12-11-16-7-5-6-8-17(16)13-19/h2-13H,14-15H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate has a molecular weight of 349.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 2583233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).