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

C20H28N2O5 — CID 7524467

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-2-26-17-11-7-6-8-15(17)12-13-19(24)27-14-18(23)22-20(25)21-16-9-4-3-5-10-16/h6-8,11,16H,2-5,9-10,12-14H2,1H3,(H2,21,22,23,25)
InChIKeyKOPDANLRMUAMEH-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.72
Rot. Bonds8

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

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 7524467) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
PubChem CID7524467
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H28N2O5/c1-2-26-17-11-7-6-8-15(17)12-13-19(24)27-14-18(23)22-20(25)21-16-9-4-3-5-10-16/h6-8,11,16H,2-5,9-10,12-14H2,1H3,(H2,21,22,23,25)
InChIKeyKOPDANLRMUAMEH-UHFFFAOYSA-N
XLogP2.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 46789069
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807760
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731267
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329364
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7578048
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524637
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(5-phenylfuran-2-yl)propanoate
CID 40685603
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate (CID 7524467) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is KOPDANLRMUAMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-2-26-17-11-7-6-8-15(17)12-13-19(24)27-14-18(23)22-20(25)21-16-9-4-3-5-10-16/h6-8,11,16H,2-5,9-10,12-14H2,1H3,(H2,21,22,23,25).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 376.45 g/mol, XLogP of 2.72, 8 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-ethoxyphenyl)propanoate is sourced from PubChem (CID 7524467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).