N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide

C20H25NO3 — CID 4623052

IUPACN-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(C(C)CC)cc2O)cc1
InChIInChI=1S/C20H25NO3/c1-4-14(3)16-8-11-18(19(22)12-16)21-20(23)13-24-17-9-6-15(5-2)7-10-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyUSDVTJLJZRHTAY-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.49
Rot. Bonds7

About N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide

N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide (PubChem CID 4623052) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
PubChem CID4623052
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(C(C)CC)cc2O)cc1
InChIInChI=1S/C20H25NO3/c1-4-14(3)16-8-11-18(19(22)12-16)21-20(23)13-24-17-9-6-15(5-2)7-10-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyUSDVTJLJZRHTAY-UHFFFAOYSA-N
XLogP4.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2R)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 6544251
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
CID 21209219
N-[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]-2-(4-methylphenoxy)acetamide
CID 40553112
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethoxyphenyl)acetamide
CID 969414
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 918611
(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9238209
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 40666697
N-(2-bromophenyl)-2-[4-[(2S)-butan-2-yl]phenoxy]acetamide
CID 40666712

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide (CID 4623052) is N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)Nc2ccc(C(C)CC)cc2O)cc1.
What is the InChIKey of N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide?
The InChIKey is USDVTJLJZRHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-14(3)16-8-11-18(19(22)12-16)21-20(23)13-24-17-9-6-15(5-2)7-10-17/h6-12,14,22H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide?
N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide has a molecular weight of 327.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yl-2-hydroxyphenyl)-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 4623052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).