cyclohexyl 4-(dimethylcarbamoylamino)benzoate

C16H22N2O3 — CID 110443782

IUPACcyclohexyl 4-(dimethylcarbamoylamino)benzoate
SMILESCN(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)16(20)17-13-10-8-12(9-11-13)15(19)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,17,20)
InChIKeyPRQXWVFMULUWCI-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.27
Rot. Bonds3

About cyclohexyl 4-(dimethylcarbamoylamino)benzoate

cyclohexyl 4-(dimethylcarbamoylamino)benzoate (PubChem CID 110443782) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is cyclohexyl 4-(dimethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-(dimethylcarbamoylamino)benzoate
PubChem CID110443782
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namecyclohexyl 4-(dimethylcarbamoylamino)benzoate
SMILESCN(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)16(20)17-13-10-8-12(9-11-13)15(19)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,17,20)
InChIKeyPRQXWVFMULUWCI-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338
cyclohexyl 4-[(2-phenylacetyl)amino]benzoate
CID 682571
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
cyclohexyl 4-[[2-(4-methoxyphenoxy)acetyl]amino]benzoate
CID 17128736
cyclohexyl 4-(dimethylsulfamoyl)benzoate
CID 2079292
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(dimethylcarbamoylamino)benzoate?
The IUPAC name of cyclohexyl 4-(dimethylcarbamoylamino)benzoate (CID 110443782) is cyclohexyl 4-(dimethylcarbamoylamino)benzoate.
What is the SMILES notation for cyclohexyl 4-(dimethylcarbamoylamino)benzoate?
The canonical SMILES for cyclohexyl 4-(dimethylcarbamoylamino)benzoate is CN(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1.
What is the InChIKey of cyclohexyl 4-(dimethylcarbamoylamino)benzoate?
The InChIKey is PRQXWVFMULUWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)16(20)17-13-10-8-12(9-11-13)15(19)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,17,20).
What are the key properties of cyclohexyl 4-(dimethylcarbamoylamino)benzoate?
cyclohexyl 4-(dimethylcarbamoylamino)benzoate has a molecular weight of 290.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(dimethylcarbamoylamino)benzoate is sourced from PubChem (CID 110443782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).