[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate

C17H23NO4 — CID 2617314

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C17H23NO4/c1-2-21-15-10-6-5-9-14(15)18-16(19)12-22-17(20)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)
InChIKeyBWXJYYMYOWJPCI-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.15
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2617314) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2617314
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCCOc1ccccc1NC(=O)COC(=O)CC1CCCC1
InChIInChI=1S/C17H23NO4/c1-2-21-15-10-6-5-9-14(15)18-16(19)12-22-17(20)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19)
InChIKeyBWXJYYMYOWJPCI-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735495
ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
CID 24686043
methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
CID 46621239
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetate
CID 98641122
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140411
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 7997830
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2617314) is [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate is CCOc1ccccc1NC(=O)COC(=O)CC1CCCC1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is BWXJYYMYOWJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-21-15-10-6-5-9-14(15)18-16(19)12-22-17(20)11-13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 305.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2617314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).