[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

C21H19NO4 — CID 7767835

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-15-6-2-5-9-19(15)25-14-21(24)26-13-20(23)22-18-11-10-16-7-3-4-8-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyMMKLAFJANHBJGN-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.71
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 7767835) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID7767835
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-15-6-2-5-9-19(15)25-14-21(24)26-13-20(23)22-18-11-10-16-7-3-4-8-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyMMKLAFJANHBJGN-UHFFFAOYSA-N
XLogP3.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903892
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335752
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7856028
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843327
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 7767835) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is MMKLAFJANHBJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-6-2-5-9-19(15)25-14-21(24)26-13-20(23)22-18-11-10-16-7-3-4-8-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 349.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7767835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).