methyl 4-(cyclohexylcarbamoyloxy)benzoate

C15H19NO4 — CID 42646581

IUPACmethyl 4-(cyclohexylcarbamoyloxy)benzoate
SMILESCOC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H19NO4/c1-19-14(17)11-7-9-13(10-8-11)20-15(18)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,18)
InChIKeyZZJXWAOVWRCUCM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.89
Rot. Bonds3

About methyl 4-(cyclohexylcarbamoyloxy)benzoate

methyl 4-(cyclohexylcarbamoyloxy)benzoate (PubChem CID 42646581) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-(cyclohexylcarbamoyloxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(cyclohexylcarbamoyloxy)benzoate
PubChem CID42646581
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-(cyclohexylcarbamoyloxy)benzoate
SMILESCOC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H19NO4/c1-19-14(17)11-7-9-13(10-8-11)20-15(18)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,18)
InChIKeyZZJXWAOVWRCUCM-UHFFFAOYSA-N
XLogP2.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexylcarbamoyloxy)benzoate?
The IUPAC name of methyl 4-(cyclohexylcarbamoyloxy)benzoate (CID 42646581) is methyl 4-(cyclohexylcarbamoyloxy)benzoate.
What is the SMILES notation for methyl 4-(cyclohexylcarbamoyloxy)benzoate?
The canonical SMILES for methyl 4-(cyclohexylcarbamoyloxy)benzoate is COC(=O)c1ccc(OC(=O)NC2CCCCC2)cc1.
What is the InChIKey of methyl 4-(cyclohexylcarbamoyloxy)benzoate?
The InChIKey is ZZJXWAOVWRCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-14(17)11-7-9-13(10-8-11)20-15(18)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,18).
What are the key properties of methyl 4-(cyclohexylcarbamoyloxy)benzoate?
methyl 4-(cyclohexylcarbamoyloxy)benzoate has a molecular weight of 277.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexylcarbamoyloxy)benzoate is sourced from PubChem (CID 42646581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).