2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide

C25H27NO3 — CID 17130083

IUPAC2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-19-8-6-9-20(2)25(19)29-18-24(27)26-22-13-15-23(16-14-22)28-17-7-12-21-10-4-3-5-11-21/h3-6,8-11,13-16H,7,12,17-18H2,1-2H3,(H,26,27)
InChIKeyVKOKUEZXVIBYJA-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.33
Rot. Bonds9

About 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide

2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 17130083) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
PubChem CID17130083
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(OCCCc2ccccc2)cc1
InChIInChI=1S/C25H27NO3/c1-19-8-6-9-20(2)25(19)29-18-24(27)26-22-13-15-23(16-14-22)28-17-7-12-21-10-4-3-5-11-21/h3-6,8-11,13-16H,7,12,17-18H2,1-2H3,(H,26,27)
InChIKeyVKOKUEZXVIBYJA-UHFFFAOYSA-N
XLogP5.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.33
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-(2,3-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130266
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731
2-(2,6-dimethylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 835384
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136
2-(2,6-dimethylphenoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474451
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-[benzyl(methyl)amino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54809010

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide (CID 17130083) is 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(OCCCc2ccccc2)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is VKOKUEZXVIBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-19-8-6-9-20(2)25(19)29-18-24(27)26-22-13-15-23(16-14-22)28-17-7-12-21-10-4-3-5-11-21/h3-6,8-11,13-16H,7,12,17-18H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17130083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).