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

C22H25NO3 — CID 2346979

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C22H25NO3/c24-20(23-19-14-8-3-9-15-19)16-26-22(25)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,24)
InChIKeyPPPKONZDEQJTOP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.81
Rot. Bonds6

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

[2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate (PubChem CID 2346979) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate
PubChem CID2346979
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate
SMILESO=C(COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1
InChIInChI=1S/C22H25NO3/c24-20(23-19-14-8-3-9-15-19)16-26-22(25)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,24)
InChIKeyPPPKONZDEQJTOP-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(Benzyloxy)ethyl]-2,2-diphenylacetamide
CID 597400
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[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
CID 3453266
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
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N-[2-(benzyloxy)ethyl]-3,3-diphenylpropanamide
CID 6456612
2-(Cyclohexylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759347
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 8661334
Benzyl [(diphenylacetyl)amino]acetate
CID 1100660
2-oxo-2-phenylethyl N-acetylphenylalaninate
CID 2914367
2-(4-Ethylphenyl)-2-oxoethyl 2-{[(4-methylcyclohexyl)carbonyl]amino}-3-phenylpropanoate
CID 4326570
(2S)-2-(3,3-diphenylpropanoylamino)-3-phenylpropanoic acid
CID 122689625

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate (CID 2346979) is [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate is O=C(COC(=O)C(c1ccccc1)c1ccccc1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate?
The InChIKey is PPPKONZDEQJTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-20(23-19-14-8-3-9-15-19)16-26-22(25)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,19,21H,3,8-9,14-16H2,(H,23,24).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate?
[2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate has a molecular weight of 351.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2,2-diphenylacetate is sourced from PubChem (CID 2346979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).