2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide

C21H25NO3 — CID 4952443

IUPAC2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)COc2ccccc2C(C)CC)cc1
InChIInChI=1S/C21H25NO3/c1-4-14-24-18-12-10-17(11-13-18)22-21(23)15-25-20-9-7-6-8-19(20)16(3)5-2/h4,6-13,16H,1,5,14-15H2,2-3H3,(H,22,23)
InChIKeyXFGKSXDXASWZKK-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.78
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide

2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 4952443) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID4952443
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)COc2ccccc2C(C)CC)cc1
InChIInChI=1S/C21H25NO3/c1-4-14-24-18-12-10-17(11-13-18)22-21(23)15-25-20-9-7-6-8-19(20)16(3)5-2/h4,6-13,16H,1,5,14-15H2,2-3H3,(H,22,23)
InChIKeyXFGKSXDXASWZKK-UHFFFAOYSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
2-(2-butan-2-ylphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 17340192
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154653
4-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17218695
2-(2-butan-2-ylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 2953225
N-(3-amino-4-chlorophenyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 46735825
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1015338
2-(2-butan-2-ylphenoxy)-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
CID 2950699

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide (CID 4952443) is 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)COc2ccccc2C(C)CC)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is XFGKSXDXASWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-14-24-18-12-10-17(11-13-18)22-21(23)15-25-20-9-7-6-8-19(20)16(3)5-2/h4,6-13,16H,1,5,14-15H2,2-3H3,(H,22,23).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide?
2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 4952443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).