2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide

C18H19NO3 — CID 54857035

IUPAC2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(2)19(16-9-4-3-5-10-16)18(21)13-22-17-11-7-6-8-15(17)12-20/h3-12,14H,13H2,1-2H3
InChIKeyXGPOOUSLIHUMPZ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.32
Rot. Bonds6

About 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide

2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 54857035) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
PubChem CID54857035
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1ccccc1C=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(2)19(16-9-4-3-5-10-16)18(21)13-22-17-11-7-6-8-15(17)12-20/h3-12,14H,13H2,1-2H3
InChIKeyXGPOOUSLIHUMPZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 110891996
2-(2,4-difluorophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78790507
2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78760080
2-[2-oxo-2-(N-propan-2-ylanilino)ethoxy]-N-phenylbenzamide
CID 7919585
N-(cyanomethyl)-2-(2-formylphenoxy)-N-phenylacetamide
CID 30834008
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 7701603
methyl 2-(2-formylphenoxy)acetate
CID 5151625
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
2-[(E)-4-oxo-2-phenylpent-2-enoxy]benzaldehyde
CID 101421185

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide (CID 54857035) is 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1ccccc1C=O)c1ccccc1.
What is the InChIKey of 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is XGPOOUSLIHUMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(2)19(16-9-4-3-5-10-16)18(21)13-22-17-11-7-6-8-15(17)12-20/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 297.35 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 54857035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).