2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide

C18H28N2O3 — CID 4723030

IUPAC2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNC2CCCCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C18H28N2O3/c1-22-17-11-14(9-10-16(17)23-13-18(19)21)12-20-15-7-5-3-2-4-6-8-15/h9-11,15,20H,2-8,12-13H2,1H3,(H2,19,21)
InChIKeyAHLQKYJDCPDWIH-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.76
Rot. Bonds7

About 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide

2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 4723030) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide
PubChem CID4723030
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNC2CCCCCCC2)ccc1OCC(N)=O
InChIInChI=1S/C18H28N2O3/c1-22-17-11-14(9-10-16(17)23-13-18(19)21)12-20-15-7-5-3-2-4-6-8-15/h9-11,15,20H,2-8,12-13H2,1H3,(H2,19,21)
InChIKeyAHLQKYJDCPDWIH-UHFFFAOYSA-N
XLogP2.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide (CID 4723030) is 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNC2CCCCCCC2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is AHLQKYJDCPDWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-22-17-11-14(9-10-16(17)23-13-18(19)21)12-20-15-7-5-3-2-4-6-8-15/h9-11,15,20H,2-8,12-13H2,1H3,(H2,19,21).
What are the key properties of 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide?
2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 320.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclooctylamino)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 4723030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).