[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C22H25NO4 — CID 2676355

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C22H25NO4/c24-20(23-19-14-8-3-9-15-19)16-27-21(25)22(26,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,26H,3,8-9,14-16H2,(H,23,24)
InChIKeyWHGNYNGWMLALOY-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.91
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 2676355) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID2676355
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C22H25NO4/c24-20(23-19-14-8-3-9-15-19)16-27-21(25)22(26,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,26H,3,8-9,14-16H2,(H,23,24)
InChIKeyWHGNYNGWMLALOY-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 16500353
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
CID 7191546
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 27931453
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675463
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 2676355) is [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is WHGNYNGWMLALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c24-20(23-19-14-8-3-9-15-19)16-27-21(25)22(26,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,26H,3,8-9,14-16H2,(H,23,24).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 367.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 2676355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).