[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate

C19H27NO4 — CID 46621239

IUPAC[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C19H27NO4/c1-3-23-17-12-8-7-11-16(17)20-19(22)14(2)24-18(21)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyPDFVQKUHAYYPIJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.93
Rot. Bonds7

About [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate (PubChem CID 46621239) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
PubChem CID46621239
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate
SMILESCCOc1ccccc1NC(=O)C(C)OC(=O)CC1CCCCC1
InChIInChI=1S/C19H27NO4/c1-3-23-17-12-8-7-11-16(17)20-19(22)14(2)24-18(21)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,20,22)
InChIKeyPDFVQKUHAYYPIJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617314
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
2-(cyclohexylmethylamino)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 3873364
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948060
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7709454
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 9309496
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 9309498
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738292
cycloheptyl-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]azanium
CID 8967736
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885477

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
The IUPAC name of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate (CID 46621239) is [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate.
What is the SMILES notation for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
The canonical SMILES for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate is CCOc1ccccc1NC(=O)C(C)OC(=O)CC1CCCCC1.
What is the InChIKey of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
The InChIKey is PDFVQKUHAYYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-3-23-17-12-8-7-11-16(17)20-19(22)14(2)24-18(21)13-15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate?
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate has a molecular weight of 333.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-cyclohexylacetate is sourced from PubChem (CID 46621239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).