[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate

C24H28N2O4 — CID 7795325

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C24H28N2O4/c27-22(26-24(29)25-20-14-8-3-9-15-20)17-30-23(28)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H2,25,26,27,29)
InChIKeyBRJAXUMTBLYMRJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.91
Rot. Bonds7

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate (PubChem CID 7795325) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
PubChem CID7795325
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
SMILESO=C(COC(=O)CC(c1ccccc1)c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C24H28N2O4/c27-22(26-24(29)25-20-14-8-3-9-15-20)17-30-23(28)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H2,25,26,27,29)
InChIKeyBRJAXUMTBLYMRJ-UHFFFAOYSA-N
XLogP3.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46661496
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772669
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919629
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2565014
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate
CID 55701620
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate (CID 7795325) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate is O=C(COC(=O)CC(c1ccccc1)c1ccccc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
The InChIKey is BRJAXUMTBLYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-22(26-24(29)25-20-14-8-3-9-15-20)17-30-23(28)16-21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2,(H2,25,26,27,29).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate has a molecular weight of 408.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate is sourced from PubChem (CID 7795325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).