2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide

C25H35NO3 — CID 4959333

IUPAC2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)COc2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-4-6-7-8-9-18-28-23-16-12-22(13-17-23)26-25(27)19-29-24-14-10-21(11-15-24)20(3)5-2/h10-17,20H,4-9,18-19H2,1-3H3,(H,26,27)
InChIKeyFRUNKRRJPRUMQJ-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.57
Rot. Bonds13

About 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide

2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide (PubChem CID 4959333) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
PubChem CID4959333
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)COc2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-4-6-7-8-9-18-28-23-16-12-22(13-17-23)26-25(27)19-29-24-14-10-21(11-15-24)20(3)5-2/h10-17,20H,4-9,18-19H2,1-3H3,(H,26,27)
InChIKeyFRUNKRRJPRUMQJ-UHFFFAOYSA-N
XLogP6.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide (CID 4959333) is 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide is CCCCCCCOc1ccc(NC(=O)COc2ccc(C(C)CC)cc2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide?
The InChIKey is FRUNKRRJPRUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-4-6-7-8-9-18-28-23-16-12-22(13-17-23)26-25(27)19-29-24-14-10-21(11-15-24)20(3)5-2/h10-17,20H,4-9,18-19H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide has a molecular weight of 397.56 g/mol, XLogP of 6.57, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide is sourced from PubChem (CID 4959333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).