[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate

C19H26N2O5 — CID 7211666

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O5/c1-2-12-25-16-10-8-14(9-11-16)18(23)26-13-17(22)21-19(24)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,20,21,22,24)
InChIKeyMDIYJQYXFVPJCC-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.79
Rot. Bonds7

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate (PubChem CID 7211666) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
PubChem CID7211666
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O5/c1-2-12-25-16-10-8-14(9-11-16)18(23)26-13-17(22)21-19(24)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,20,21,22,24)
InChIKeyMDIYJQYXFVPJCC-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2634322
propyl 4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927767
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747
N-cyclohexyl-4-propoxybenzamide
CID 4938429
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 4784630
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
ethyl 4-[[2-(4-butoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34321831
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 7844796
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558614
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010356
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 8013227
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate (CID 7211666) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate?
The InChIKey is MDIYJQYXFVPJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-2-12-25-16-10-8-14(9-11-16)18(23)26-13-17(22)21-19(24)20-15-6-4-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-propoxybenzoate has a molecular weight of 362.43 g/mol, XLogP of 2.79, 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] 4-propoxybenzoate is sourced from PubChem (CID 7211666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).