[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

C22H21NO5 — CID 2625312

IUPAC[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H21NO5/c1-26-19-11-10-17(13-20(19)27-2)23-21(24)14-28-22(25)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13H,12,14H2,1-2H3,(H,23,24)
InChIKeyXKWAPHSPRSBWLO-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.58
Rot. Bonds7

About [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2625312) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2625312
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCOc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1OC
InChIInChI=1S/C22H21NO5/c1-26-19-11-10-17(13-20(19)27-2)23-21(24)14-28-22(25)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13H,12,14H2,1-2H3,(H,23,24)
InChIKeyXKWAPHSPRSBWLO-UHFFFAOYSA-N
XLogP3.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983402
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525666
[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2353518
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573563
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484633
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 3988697
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2625312) is [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is COc1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is XKWAPHSPRSBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-19-11-10-17(13-20(19)27-2)23-21(24)14-28-22(25)12-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,13H,12,14H2,1-2H3,(H,23,24).
What are the key properties of [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 379.41 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2625312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).