2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide

C15H21NO4 — CID 7688307

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C15H21NO4/c1-10(2)8-16-15(18)9-20-14-7-12(19-4)5-6-13(14)11(3)17/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyQUTSYCNSLZSNSC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.05
Rot. Bonds7

About 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide

2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 7688307) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID7688307
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NCC(C)C)c1
InChIInChI=1S/C15H21NO4/c1-10(2)8-16-15(18)9-20-14-7-12(19-4)5-6-13(14)11(3)17/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyQUTSYCNSLZSNSC-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-5-methoxyphenoxy)-N-propylacetamide
CID 40625824
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-(2-acetyl-5-methoxyphenoxy)-N-(2-cyanoethyl)acetamide
CID 115280511
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017
2-(2-acetyl-5-methoxyphenoxy)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 55467454
2-(2-acetyl-5-methoxyphenoxy)-N-(3,4-diethoxyphenyl)acetamide
CID 7688310
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
2-[4-(1-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 16783572
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide (CID 7688307) is 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide is COc1ccc(C(C)=O)c(OCC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is QUTSYCNSLZSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)8-16-15(18)9-20-14-7-12(19-4)5-6-13(14)11(3)17/h5-7,10H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 7688307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).