2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide

C19H27NO4 — CID 7962262

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC1CCCCCCC1
InChIInChI=1S/C19H27NO4/c1-14(21)15-10-11-17(18(12-15)23-2)24-13-19(22)20-16-8-6-4-3-5-7-9-16/h10-12,16H,3-9,13H2,1-2H3,(H,20,22)
InChIKeyQDLCIYBZFGBNFR-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.51
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide

2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide (PubChem CID 7962262) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
PubChem CID7962262
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC1CCCCCCC1
InChIInChI=1S/C19H27NO4/c1-14(21)15-10-11-17(18(12-15)23-2)24-13-19(22)20-16-8-6-4-3-5-7-9-16/h10-12,16H,3-9,13H2,1-2H3,(H,20,22)
InChIKeyQDLCIYBZFGBNFR-UHFFFAOYSA-N
XLogP3.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 18093332
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
2-(4-acetyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8808309
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclopropyl-2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]acetamide
CID 78931618

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide (CID 7962262) is 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide is COc1cc(C(C)=O)ccc1OCC(=O)NC1CCCCCCC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide?
The InChIKey is QDLCIYBZFGBNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14(21)15-10-11-17(18(12-15)23-2)24-13-19(22)20-16-8-6-4-3-5-7-9-16/h10-12,16H,3-9,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide has a molecular weight of 333.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide is sourced from PubChem (CID 7962262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).