N-cyclooctyl-2-(4-methoxyphenoxy)acetamide

C17H25NO3 — CID 774454

IUPACN-cyclooctyl-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-20-15-9-11-16(12-10-15)21-13-17(19)18-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8,13H2,1H3,(H,18,19)
InChIKeyJPQREBBBAVCGCK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.30
Rot. Bonds5

About N-cyclooctyl-2-(4-methoxyphenoxy)acetamide

N-cyclooctyl-2-(4-methoxyphenoxy)acetamide (PubChem CID 774454) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclooctyl-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(4-methoxyphenoxy)acetamide
PubChem CID774454
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cyclooctyl-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC2CCCCCCC2)cc1
InChIInChI=1S/C17H25NO3/c1-20-15-9-11-16(12-10-15)21-13-17(19)18-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8,13H2,1H3,(H,18,19)
InChIKeyJPQREBBBAVCGCK-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-cyclooctyl-2-(4-methoxyphenoxy)acetamide (CID 774454) is N-cyclooctyl-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-cyclooctyl-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC2CCCCCCC2)cc1.
What is the InChIKey of N-cyclooctyl-2-(4-methoxyphenoxy)acetamide?
The InChIKey is JPQREBBBAVCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-9-11-16(12-10-15)21-13-17(19)18-14-7-5-3-2-4-6-8-14/h9-12,14H,2-8,13H2,1H3,(H,18,19).
What are the key properties of N-cyclooctyl-2-(4-methoxyphenoxy)acetamide?
N-cyclooctyl-2-(4-methoxyphenoxy)acetamide has a molecular weight of 291.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 774454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).