[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate

C26H35NO3 — CID 7695229

IUPAC[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H35NO3/c28-24(27(22-7-3-1-4-8-22)23-9-5-2-6-10-23)18-30-25(29)17-26-14-19-11-20(15-26)13-21(12-19)16-26/h1,3-4,7-8,19-21,23H,2,5-6,9-18H2
InChIKeyKMQGPKNXKSIJFV-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.50
Rot. Bonds6

About [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate

[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate (PubChem CID 7695229) has the molecular formula C26H35NO3 and a molecular weight of 409.57 g/mol. Its IUPAC name is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
PubChem CID7695229
Molecular FormulaC26H35NO3
Molecular Weight409.57 g/mol
Exact Mass409.26
IUPAC Name[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)N(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H35NO3/c28-24(27(22-7-3-1-4-8-22)23-9-5-2-6-10-23)18-30-25(29)17-26-14-19-11-20(15-26)13-21(12-19)16-26/h1,3-4,7-8,19-21,23H,2,5-6,9-18H2
InChIKeyKMQGPKNXKSIJFV-UHFFFAOYSA-N
XLogP5.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate 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

[2-(N-cyclohexylanilino)-2-oxoethyl] (1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187028
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813987
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793396
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873389
[2-(4-chloro-N-cyclohexylanilino)-2-oxoethyl] acetate
CID 21157145
2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
CID 7717735
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251696
phenacyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9127158
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901935

Frequently Asked Questions

What is the IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The IUPAC name of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate (CID 7695229) is [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate is O=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)N(c1ccccc1)C1CCCCC1.
What is the InChIKey of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
The InChIKey is KMQGPKNXKSIJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO3/c28-24(27(22-7-3-1-4-8-22)23-9-5-2-6-10-23)18-30-25(29)17-26-14-19-11-20(15-26)13-21(12-19)16-26/h1,3-4,7-8,19-21,23H,2,5-6,9-18H2.
What are the key properties of [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate?
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate has a molecular weight of 409.57 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-cyclohexylanilino)-2-oxoethyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 7695229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).