[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate

C20H28N2O5 — CID 46789478

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-3-15-9-7-8-12-17(15)26-13-18(23)27-14(2)19(24)22-20(25)21-16-10-5-4-6-11-16/h7-9,12,14,16H,3-6,10-11,13H2,1-2H3,(H2,21,22,24,25)
InChIKeyUHDFWVUKQZZVMY-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.72
Rot. Bonds7

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate (PubChem CID 46789478) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
PubChem CID46789478
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
SMILESCCc1ccccc1OCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-3-15-9-7-8-12-17(15)26-13-18(23)27-14(2)19(24)22-20(25)21-16-10-5-4-6-11-16/h7-9,12,14,16H,3-6,10-11,13H2,1-2H3,(H2,21,22,24,25)
InChIKeyUHDFWVUKQZZVMY-UHFFFAOYSA-N
XLogP2.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709428
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
CID 3585051
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-nitrophenyl)acetate
CID 7832955
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 40674066
(2S)-N-cycloheptyl-2-(2-ethylphenoxy)propanamide
CID 93488429
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951287

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate (CID 46789478) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate is CCc1ccccc1OCC(=O)OC(C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate?
The InChIKey is UHDFWVUKQZZVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-3-15-9-7-8-12-17(15)26-13-18(23)27-14(2)19(24)22-20(25)21-16-10-5-4-6-11-16/h7-9,12,14,16H,3-6,10-11,13H2,1-2H3,(H2,21,22,24,25).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate has a molecular weight of 376.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate is sourced from PubChem (CID 46789478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).