[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

C23H26N2O5 — CID 8919629

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1-c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C23H26N2O5/c26-21(25-23(28)24-18-11-5-2-6-12-18)15-30-22(27)16-29-20-14-8-7-13-19(20)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H2,24,25,26,28)
InChIKeyYPPSUGRBKMFONW-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.43
Rot. Bonds7

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (PubChem CID 8919629) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
PubChem CID8919629
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1-c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C23H26N2O5/c26-21(25-23(28)24-18-11-5-2-6-12-18)15-30-22(27)16-29-20-14-8-7-13-19(20)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H2,24,25,26,28)
InChIKeyYPPSUGRBKMFONW-UHFFFAOYSA-N
XLogP3.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8919475
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919723
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981850
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
CID 40685603
2-[2-(cyclohexylcarbamoylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980853
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate (CID 8919629) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is O=C(COC(=O)COc1ccccc1-c1ccccc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
The InChIKey is YPPSUGRBKMFONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c26-21(25-23(28)24-18-11-5-2-6-12-18)15-30-22(27)16-29-20-14-8-7-13-19(20)17-9-3-1-4-10-17/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H2,24,25,26,28).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate has a molecular weight of 410.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate is sourced from PubChem (CID 8919629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).