N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide

C17H22N2O2 — CID 65018856

IUPACN-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
SMILESN#CCOc1ccc(NC(=O)C2CCCCCCC2)cc1
InChIInChI=1S/C17H22N2O2/c18-12-13-21-16-10-8-15(9-11-16)19-17(20)14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,13H2,(H,19,20)
InChIKeySTFJYZSSJMMNIR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.89
Rot. Bonds4

About N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide

N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide (PubChem CID 65018856) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
PubChem CID65018856
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
SMILESN#CCOc1ccc(NC(=O)C2CCCCCCC2)cc1
InChIInChI=1S/C17H22N2O2/c18-12-13-21-16-10-8-15(9-11-16)19-17(20)14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,13H2,(H,19,20)
InChIKeySTFJYZSSJMMNIR-UHFFFAOYSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethoxy)phenyl]azepane-2-carboxamide
CID 64564416
N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
N-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]cyclohexanecarboxamide
CID 155811692
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
CID 43369242
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
3-[[4-(cyanomethoxy)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 56809692
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-[4-(3-hydroxyprop-1-ynyl)phenyl]cyclooctanecarboxamide
CID 65023222

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide (CID 65018856) is N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide is N#CCOc1ccc(NC(=O)C2CCCCCCC2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide?
The InChIKey is STFJYZSSJMMNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-12-13-21-16-10-8-15(9-11-16)19-17(20)14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,13H2,(H,19,20).
What are the key properties of N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide?
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide is sourced from PubChem (CID 65018856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).