2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide

C19H23NO3 — CID 4732728

IUPAC2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
SMILESCCCCOc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-4-13-22-17-9-11-18(12-10-17)23-14-19(21)20-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
InChIKeyPPNXBJDIPKSKPO-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.19
Rot. Bonds8

About 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide

2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide (PubChem CID 4732728) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
PubChem CID4732728
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
SMILESCCCCOc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-3-4-13-22-17-9-11-18(12-10-17)23-14-19(21)20-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,20,21)
InChIKeyPPNXBJDIPKSKPO-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.19
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-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19166514
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
N-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102
N-(4-butoxyphenyl)butanamide
CID 4939679
2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
N-[4-(butan-2-ylamino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112980491

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide (CID 4732728) is 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide is CCCCOc1ccc(OCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide?
The InChIKey is PPNXBJDIPKSKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-4-13-22-17-9-11-18(12-10-17)23-14-19(21)20-16-7-5-15(2)6-8-16/h5-12H,3-4,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide?
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4732728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).