propyl 2-(cyclohexylcarbamoylamino)benzoate

C17H24N2O3 — CID 122389649

IUPACpropyl 2-(cyclohexylcarbamoylamino)benzoate
SMILESCCCOC(=O)c1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-2-12-22-16(20)14-10-6-7-11-15(14)19-17(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,18,19,21)
InChIKeyRGVAJTNMCVIKRZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.71
Rot. Bonds5

About propyl 2-(cyclohexylcarbamoylamino)benzoate

propyl 2-(cyclohexylcarbamoylamino)benzoate (PubChem CID 122389649) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is propyl 2-(cyclohexylcarbamoylamino)benzoate.

Molecular Properties

Compound Namepropyl 2-(cyclohexylcarbamoylamino)benzoate
PubChem CID122389649
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namepropyl 2-(cyclohexylcarbamoylamino)benzoate
SMILESCCCOC(=O)c1ccccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C17H24N2O3/c1-2-12-22-16(20)14-10-6-7-11-15(14)19-17(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,18,19,21)
InChIKeyRGVAJTNMCVIKRZ-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328
ethyl 2-[[2-(cyclohexylcarbamoylamino)acetyl]amino]benzoate
CID 113001757
butyl 2-(cyclopentylmethylcarbamoylamino)benzoate
CID 108902547
butyl 2-(oxolan-2-ylcarbamoylamino)benzoate
CID 108887818
ethyl 2-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)benzoate
CID 3679782
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
ethyl 3-(cyclooctylcarbamothioylamino)-2-methylbenzoate
CID 100663642
[2-(cyclohexylamino)-2-oxoethyl] 2-(butylamino)benzoate
CID 2613877

Frequently Asked Questions

What is the IUPAC name of propyl 2-(cyclohexylcarbamoylamino)benzoate?
The IUPAC name of propyl 2-(cyclohexylcarbamoylamino)benzoate (CID 122389649) is propyl 2-(cyclohexylcarbamoylamino)benzoate.
What is the SMILES notation for propyl 2-(cyclohexylcarbamoylamino)benzoate?
The canonical SMILES for propyl 2-(cyclohexylcarbamoylamino)benzoate is CCCOC(=O)c1ccccc1NC(=O)NC1CCCCC1.
What is the InChIKey of propyl 2-(cyclohexylcarbamoylamino)benzoate?
The InChIKey is RGVAJTNMCVIKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-12-22-16(20)14-10-6-7-11-15(14)19-17(21)18-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H2,18,19,21).
What are the key properties of propyl 2-(cyclohexylcarbamoylamino)benzoate?
propyl 2-(cyclohexylcarbamoylamino)benzoate has a molecular weight of 304.39 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(cyclohexylcarbamoylamino)benzoate is sourced from PubChem (CID 122389649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).