2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide

C17H25NO4 — CID 23405136

IUPAC2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(OCC(=O)C(C)C)cc1
InChIInChI=1S/C17H25NO4/c1-12(2)9-18-17(20)11-22-15-7-5-14(6-8-15)21-10-16(19)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,20)
InChIKeyWHNRHUNSGGXWKW-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.44
Rot. Bonds9

About 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide

2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 23405136) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID23405136
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(OCC(=O)C(C)C)cc1
InChIInChI=1S/C17H25NO4/c1-12(2)9-18-17(20)11-22-15-7-5-14(6-8-15)21-10-16(19)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,20)
InChIKeyWHNRHUNSGGXWKW-UHFFFAOYSA-N
XLogP2.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 113323047
2-(4-ethylphenoxy)-N-(2-methylpropyl)acetamide
CID 1120997
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384
2-[4-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16773407
2-[4-(3-aminobutyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16783381
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
2-(6-bromonaphthalen-2-yl)oxy-N-(2-methylpropyl)acetamide
CID 3989542
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
2-(4-hydroxy-3-methylphenoxy)-N-(2-methylpropyl)acetamide;propane
CID 90980292
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055389

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide (CID 23405136) is 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(OCC(=O)C(C)C)cc1.
What is the InChIKey of 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is WHNRHUNSGGXWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12(2)9-18-17(20)11-22-15-7-5-14(6-8-15)21-10-16(19)13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide?
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 23405136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).