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

C21H19NO4 — CID 7843327

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCc1ccccc1NC(=O)COC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-15-6-2-5-9-19(15)22-20(23)13-26-21(24)14-25-18-11-10-16-7-3-4-8-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyGGIGNELORTVFKC-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.71
Rot. Bonds6

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

[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (PubChem CID 7843327) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
PubChem CID7843327
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
SMILESCc1ccccc1NC(=O)COC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-15-6-2-5-9-19(15)22-20(23)13-26-21(24)14-25-18-11-10-16-7-3-4-8-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyGGIGNELORTVFKC-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-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821336
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821296
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527
[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843288
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843294
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
ethyl N-[2-methyl-3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]carbamate
CID 87043151
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-(2-methylsulfanylphenyl)-2-naphthalen-2-yloxyacetamide
CID 4805358
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate (CID 7843327) is [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is Cc1ccccc1NC(=O)COC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
The InChIKey is GGIGNELORTVFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-15-6-2-5-9-19(15)22-20(23)13-26-21(24)14-25-18-11-10-16-7-3-4-8-17(16)12-18/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate?
[2-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate 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-(2-methylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 7843327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).