2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide

C19H28N2O4 — CID 30540651

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-15(22)16-7-8-17(18(13-16)24-2)25-14-19(23)20-9-6-12-21-10-4-3-5-11-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,20,23)
InChIKeyJEWZMCVIEGALFG-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.27
Rot. Bonds9

About 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 30540651) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID30540651
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCCN1CCCCC1
InChIInChI=1S/C19H28N2O4/c1-15(22)16-7-8-17(18(13-16)24-2)25-14-19(23)20-9-6-12-21-10-4-3-5-11-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,20,23)
InChIKeyJEWZMCVIEGALFG-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 55717369
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
4-(4-acetyl-2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 55743530
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 122277848
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
CID 110443295

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide (CID 30540651) is 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCCCN1CCCCC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is JEWZMCVIEGALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15(22)16-7-8-17(18(13-16)24-2)25-14-19(23)20-9-6-12-21-10-4-3-5-11-21/h7-8,13H,3-6,9-12,14H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 348.44 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 30540651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).