methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate

C22H19NO5 — CID 2625317

IUPACmethyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H19NO5/c1-27-22(26)18-11-4-5-12-19(18)23-20(24)14-28-21(25)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyQDWWDDVKIYVARY-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate

methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate (PubChem CID 2625317) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
PubChem CID2625317
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Namemethyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C22H19NO5/c1-27-22(26)18-11-4-5-12-19(18)23-20(24)14-28-21(25)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,24)
InChIKeyQDWWDDVKIYVARY-UHFFFAOYSA-N
XLogP3.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
methyl 2-[[2-[3-(2-methoxyphenyl)propanoyloxy]acetyl]amino]benzoate
CID 7871156
methyl 2-[[2-[2-(2-chloro-6-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7718380
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
ethyl 2-[[2-[2-(4-methoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 2556380
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
CID 2431988
methyl 2-[[2-(4-methylpentanoyloxy)acetyl]amino]benzoate
CID 7848385
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492820

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate (CID 2625317) is methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
The InChIKey is QDWWDDVKIYVARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-27-22(26)18-11-4-5-12-19(18)23-20(24)14-28-21(25)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,23,24).
What are the key properties of methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2625317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).