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

C22H21NO3 — CID 2338088

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C22H21NO3/c1-15-7-5-12-20(16(15)2)23-21(24)14-26-22(25)13-18-10-6-9-17-8-3-4-11-19(17)18/h3-12H,13-14H2,1-2H3,(H,23,24)
InChIKeyJMXUXBZXNKGAMG-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.18
Rot. Bonds5

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

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2338088) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2338088
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1C
InChIInChI=1S/C22H21NO3/c1-15-7-5-12-20(16(15)2)23-21(24)14-26-22(25)13-18-10-6-9-17-8-3-4-11-19(17)18/h3-12H,13-14H2,1-2H3,(H,23,24)
InChIKeyJMXUXBZXNKGAMG-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
N-(2,3-dimethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228165
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-(2-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489270
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633220
N-[(2,3-dimethylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778596
[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7251943
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 1193097
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2338088) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is Cc1cccc(NC(=O)COC(=O)Cc2cccc3ccccc23)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is JMXUXBZXNKGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-15-7-5-12-20(16(15)2)23-21(24)14-26-22(25)13-18-10-6-9-17-8-3-4-11-19(17)18/h3-12H,13-14H2,1-2H3,(H,23,24).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 347.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2338088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).