ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate

C21H19NO4 — CID 7694825

IUPACethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-2-25-21(24)18-9-5-6-10-19(18)26-14-20(23)22-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyVMLKGYMTQGCXLH-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.03
Rot. Bonds6

About ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate

ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate (PubChem CID 7694825) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
PubChem CID7694825
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Nameethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
SMILESCCOC(=O)c1ccccc1OCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H19NO4/c1-2-25-21(24)18-9-5-6-10-19(18)26-14-20(23)22-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyVMLKGYMTQGCXLH-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
N-naphthalen-2-yl-2-[2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]phenoxy]acetamide
CID 10528581
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 2116978
ethyl 2-chloro-4-[[2-(2-chlorophenoxy)acetyl]amino]benzoate
CID 28564603
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767835
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8854981
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 7796123
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034
[2-(3-ethylanilino)-2-oxoethyl] 2-ethoxybenzoate
CID 8606058
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11926668
ethyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]benzoate
CID 7694748

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate?
The IUPAC name of ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate (CID 7694825) is ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate.
What is the SMILES notation for ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate?
The canonical SMILES for ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate is CCOC(=O)c1ccccc1OCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate?
The InChIKey is VMLKGYMTQGCXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-25-21(24)18-9-5-6-10-19(18)26-14-20(23)22-17-12-11-15-7-3-4-8-16(15)13-17/h3-13H,2,14H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate?
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate has a molecular weight of 349.39 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate is sourced from PubChem (CID 7694825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).