2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide

C25H25NO4 — CID 24682749

IUPAC2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCCOCc1ccccc1
InChIInChI=1S/C25H25NO4/c27-24(26-16-7-17-29-18-20-8-3-1-4-9-20)19-30-23-14-12-22(13-15-23)25(28)21-10-5-2-6-11-21/h1-6,8-15H,7,16-19H2,(H,26,27)
InChIKeySLXRPMZCNOTDTJ-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.02
Rot. Bonds11

About 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide

2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide (PubChem CID 24682749) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
PubChem CID24682749
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCCOCc1ccccc1
InChIInChI=1S/C25H25NO4/c27-24(26-16-7-17-29-18-20-8-3-1-4-9-20)19-30-23-14-12-22(13-15-23)25(28)21-10-5-2-6-11-21/h1-6,8-15H,7,16-19H2,(H,26,27)
InChIKeySLXRPMZCNOTDTJ-UHFFFAOYSA-N
XLogP4.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-N-(2-phenylmethoxyethyl)acetamide
CID 99818572
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
2-(4-benzoylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 134038104
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[[2-(4-benzoylphenoxy)acetyl]amino]ethyl-diethylazanium
CID 9315010
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
CID 8534586
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 7761229
2-naphthalen-2-yl-N-(3-phenylmethoxypropyl)acetamide
CID 41365702
N-(3-ethoxypropyl)-2-(4-propanoylphenoxy)acetamide
CID 78760477
1-[4-(3-phenylmethoxypropoxy)phenyl]ethanone
CID 21110216

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide (CID 24682749) is 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCCOCc1ccccc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide?
The InChIKey is SLXRPMZCNOTDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c27-24(26-16-7-17-29-18-20-8-3-1-4-9-20)19-30-23-14-12-22(13-15-23)25(28)21-10-5-2-6-11-21/h1-6,8-15H,7,16-19H2,(H,26,27).
What are the key properties of 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide?
2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.02, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-(3-phenylmethoxypropyl)acetamide is sourced from PubChem (CID 24682749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).