[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate

C20H27NO5 — CID 55324833

IUPAC[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
SMILESCCOC(=O)CN(C(=O)COC(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H27NO5/c1-2-25-20(24)14-21(17-11-7-4-8-12-17)18(22)15-26-19(23)13-16-9-5-3-6-10-16/h4,7-8,11-12,16H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyKCPBRMDEVCFDBA-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.10
Rot. Bonds8

About [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate (PubChem CID 55324833) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
PubChem CID55324833
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate
SMILESCCOC(=O)CN(C(=O)COC(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H27NO5/c1-2-25-20(24)14-21(17-11-7-4-8-12-17)18(22)15-26-19(23)13-16-9-5-3-6-10-16/h4,7-8,11-12,16H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyKCPBRMDEVCFDBA-UHFFFAOYSA-N
XLogP3.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Emodepside
CID 6918632
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 2337918
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
[2-(N-methylanilino)-2-oxoethyl] 3-chloroadamantane-1-carboxylate
CID 4993448
methyl N-{3-methyl-5-[(4-methylphenyl)amino]-5-oxopentanoyl}phenylalaninate
CID 16467950
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
[2-(2-Methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 1690080
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 3-acetamido-3-phenylpropanoate
CID 5042356
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 16340003
[2-(4-Acetamidoanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2365224
[2-(3-Fluoroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2370397
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547225

Frequently Asked Questions

What is the IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate?
The IUPAC name of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate (CID 55324833) is [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate is CCOC(=O)CN(C(=O)COC(=O)CC1CCCCC1)c1ccccc1.
What is the InChIKey of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate?
The InChIKey is KCPBRMDEVCFDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-2-25-20(24)14-21(17-11-7-4-8-12-17)18(22)15-26-19(23)13-16-9-5-3-6-10-16/h4,7-8,11-12,16H,2-3,5-6,9-10,13-15H2,1H3.
What are the key properties of [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate?
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate has a molecular weight of 361.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-cyclohexylacetate is sourced from PubChem (CID 55324833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).