[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

C22H25NO4 — CID 7234926

IUPAC[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C22H25NO4/c1-3-16-7-4-6-15(2)22(16)23-20(24)13-27-21(25)14-26-19-11-10-17-8-5-9-18(17)12-19/h4,6-7,10-12H,3,5,8-9,13-14H2,1-2H3,(H,23,24)
InChIKeyUOKJFNWGXKJJCA-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.61
Rot. Bonds7

About [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate

[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (PubChem CID 7234926) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
PubChem CID7234926
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
SMILESCCc1cccc(C)c1NC(=O)COC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C22H25NO4/c1-3-16-7-4-6-15(2)22(16)23-20(24)13-27-21(25)14-26-19-11-10-17-8-5-9-18(17)12-19/h4,6-7,10-12H,3,5,8-9,13-14H2,1-2H3,(H,23,24)
InChIKeyUOKJFNWGXKJJCA-UHFFFAOYSA-N
XLogP3.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2080510
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535723
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801499
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4801554
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273551
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7235176
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7994602
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7578935

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The IUPAC name of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate (CID 7234926) is [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is CCc1cccc(C)c1NC(=O)COC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
The InChIKey is UOKJFNWGXKJJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-16-7-4-6-15(2)22(16)23-20(24)13-27-21(25)14-26-19-11-10-17-8-5-9-18(17)12-19/h4,6-7,10-12H,3,5,8-9,13-14H2,1-2H3,(H,23,24).
What are the key properties of [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate?
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate has a molecular weight of 367.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate is sourced from PubChem (CID 7234926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).