ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate

C19H25NO5 — CID 24686043

IUPACethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCCC1
InChIInChI=1S/C19H25NO5/c1-2-24-19(23)15-10-6-7-11-16(15)20-17(21)13-25-18(22)12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,21)
InChIKeyKPQXIJZHJDEWQQ-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.32
Rot. Bonds7

About ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate

ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate (PubChem CID 24686043) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
PubChem CID24686043
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Nameethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCCC1
InChIInChI=1S/C19H25NO5/c1-2-24-19(23)15-10-6-7-11-16(15)20-17(21)13-25-18(22)12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,21)
InChIKeyKPQXIJZHJDEWQQ-UHFFFAOYSA-N
XLogP3.32
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(2-cyclopentylacetyl)oxyacetyl]amino]benzoate
CID 2617358
[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
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ethyl 2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]benzoate
CID 7949043
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202919
ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
CID 113001757
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
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ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
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CID 110755189

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate (CID 24686043) is ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCCC1.
What is the InChIKey of ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate?
The InChIKey is KPQXIJZHJDEWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-2-24-19(23)15-10-6-7-11-16(15)20-17(21)13-25-18(22)12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate?
ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate has a molecular weight of 347.41 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-cyclohexylacetyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 24686043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).