2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide

C20H24BrNO2 — CID 2411101

IUPAC2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NC1CCCCCCC1
InChIInChI=1S/C20H24BrNO2/c21-17-10-8-16-13-19(11-9-15(16)12-17)24-14-20(23)22-18-6-4-2-1-3-5-7-18/h8-13,18H,1-7,14H2,(H,22,23)
InChIKeyWNGQXZKVIWFQAQ-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.21
Rot. Bonds4

About 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide

2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide (PubChem CID 2411101) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide
PubChem CID2411101
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide
SMILESO=C(COc1ccc2cc(Br)ccc2c1)NC1CCCCCCC1
InChIInChI=1S/C20H24BrNO2/c21-17-10-8-16-13-19(11-9-15(16)12-17)24-14-20(23)22-18-6-4-2-1-3-5-7-18/h8-13,18H,1-7,14H2,(H,22,23)
InChIKeyWNGQXZKVIWFQAQ-UHFFFAOYSA-N
XLogP5.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide (CID 2411101) is 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide is O=C(COc1ccc2cc(Br)ccc2c1)NC1CCCCCCC1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide?
The InChIKey is WNGQXZKVIWFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c21-17-10-8-16-13-19(11-9-15(16)12-17)24-14-20(23)22-18-6-4-2-1-3-5-7-18/h8-13,18H,1-7,14H2,(H,22,23).
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide?
2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide has a molecular weight of 390.32 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-N-cyclooctylacetamide is sourced from PubChem (CID 2411101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).