2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide

C19H21NO4 — CID 75435846

IUPAC2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)24-20-17(21)13-23-16-11-9-15(10-12-16)18(22)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyWWKJNYZQGPNTDG-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.14
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide

2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 75435846) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID75435846
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(C)ONC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21NO4/c1-19(2,3)24-20-17(21)13-23-16-11-9-15(10-12-16)18(22)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,21)
InChIKeyWWKJNYZQGPNTDG-UHFFFAOYSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(4-benzoylphenoxy)acetamide
CID 119522817
2-(4-benzoylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 7717850
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
CID 837401
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
CID 82724045
CID 157442056
CID 157442056
(2S)-2-[[2-(4-benzoylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 119359613
2-(2-ethoxyphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82726093
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-(4-benzoylphenoxy)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 38903544
2-(4-benzoylphenoxy)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 2546824
2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
CID 9315010
methyl 3-[[2-(4-benzoylphenoxy)acetyl]amino]benzoate
CID 2592757

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide (CID 75435846) is 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(C)ONC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is WWKJNYZQGPNTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-19(2,3)24-20-17(21)13-23-16-11-9-15(10-12-16)18(22)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide?
2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 327.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 75435846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).