ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate

C22H21NO4 — CID 39269822

IUPACethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H21NO4/c1-2-26-22(25)15-27-19-11-6-10-18(14-19)23-21(24)13-17-9-5-8-16-7-3-4-12-20(16)17/h3-12,14H,2,13,15H2,1H3,(H,23,24)
InChIKeyJNWHIHCCCNYZDY-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.96
Rot. Bonds7

About ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate

ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate (PubChem CID 39269822) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
PubChem CID39269822
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Nameethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)Cc2cccc3ccccc23)c1
InChIInChI=1S/C22H21NO4/c1-2-26-22(25)15-27-19-11-6-10-18(14-19)23-21(24)13-17-9-5-8-16-7-3-4-12-20(16)17/h3-12,14H,2,13,15H2,1H3,(H,23,24)
InChIKeyJNWHIHCCCNYZDY-UHFFFAOYSA-N
XLogP3.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
CID 39269339
ethyl 2-[3-[(3-phenylnaphthalene-1-carbonyl)amino]phenoxy]acetate
CID 131735213
ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
CID 55706670
2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133220
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
ethyl 2-[3-(but-2-ynoylamino)phenoxy]acetate
CID 107991028
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
ethyl N-[3-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]carbamate
CID 30011225
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate (CID 39269822) is ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)Cc2cccc3ccccc23)c1.
What is the InChIKey of ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate?
The InChIKey is JNWHIHCCCNYZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-2-26-22(25)15-27-19-11-6-10-18(14-19)23-21(24)13-17-9-5-8-16-7-3-4-12-20(16)17/h3-12,14H,2,13,15H2,1H3,(H,23,24).
What are the key properties of ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate?
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate has a molecular weight of 363.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate is sourced from PubChem (CID 39269822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).