[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

C19H26N2O5 — CID 46789069

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H26N2O5/c1-14-7-5-6-10-16(14)25-12-11-18(23)26-13-17(22)21-19(24)20-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H2,20,21,22,24)
InChIKeyLPCZCFYSBWTWHH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.47
Rot. Bonds7

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (PubChem CID 46789069) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
PubChem CID46789069
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H26N2O5/c1-14-7-5-6-10-16(14)25-12-11-18(23)26-13-17(22)21-19(24)20-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H2,20,21,22,24)
InChIKeyLPCZCFYSBWTWHH-UHFFFAOYSA-N
XLogP2.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524467
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7981850
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-2-methylphenoxy)butanoate
CID 7868590
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(2-phenylphenoxy)acetate
CID 8919629
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
N-cyclopentyl-3-(2,3-dimethylphenoxy)propanamide
CID 60737583

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate (CID 46789069) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
The InChIKey is LPCZCFYSBWTWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-14-7-5-6-10-16(14)25-12-11-18(23)26-13-17(22)21-19(24)20-15-8-3-2-4-9-15/h5-7,10,15H,2-4,8-9,11-13H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate has a molecular weight of 362.43 g/mol, XLogP of 2.47, 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] 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 46789069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).