methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate

C17H23NO4 — CID 141315431

IUPACmethyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1OCC1CCCCC1
InChIInChI=1S/C17H23NO4/c1-12(19)18-14-8-9-15(17(20)21-2)16(10-14)22-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyLQNNABVGEYAWSE-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.39
Rot. Bonds5

About methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate

methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate (PubChem CID 141315431) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
PubChem CID141315431
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl 4-acetamido-2-(cyclohexylmethoxy)benzoate
SMILESCOC(=O)c1ccc(NC(C)=O)cc1OCC1CCCCC1
InChIInChI=1S/C17H23NO4/c1-12(19)18-14-8-9-15(17(20)21-2)16(10-14)22-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19)
InChIKeyLQNNABVGEYAWSE-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
The IUPAC name of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate (CID 141315431) is methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate.
What is the SMILES notation for methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
The canonical SMILES for methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate is COC(=O)c1ccc(NC(C)=O)cc1OCC1CCCCC1.
What is the InChIKey of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
The InChIKey is LQNNABVGEYAWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(19)18-14-8-9-15(17(20)21-2)16(10-14)22-11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate?
methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate has a molecular weight of 305.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-2-(cyclohexylmethoxy)benzoate is sourced from PubChem (CID 141315431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).