2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide

C18H19NO3 — CID 78760080

IUPAC2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1cccc(C=O)c1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(2)19(16-8-4-3-5-9-16)18(21)13-22-17-10-6-7-15(11-17)12-20/h3-12,14H,13H2,1-2H3
InChIKeyPHLJJVSWAYUPBV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.32
Rot. Bonds6

About 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide

2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 78760080) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
PubChem CID78760080
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)COc1cccc(C=O)c1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(2)19(16-8-4-3-5-9-16)18(21)13-22-17-10-6-7-15(11-17)12-20/h3-12,14H,13H2,1-2H3
InChIKeyPHLJJVSWAYUPBV-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'}

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Related Compounds

2-naphthalen-2-yloxy-N-phenyl-N-propan-2-ylacetamide
CID 112781691
2-(2-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 54857035
2-(4-acetamidophenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 7203462
(2R)-2-(3-formylphenoxy)propanoic acid
CID 907308
3-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzaldehyde
CID 60624316
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-pentan-3-ylacetamide
CID 60624295
2-(3-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60624302
2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide
CID 112788150
4-[(3-formylphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 139661611
[2-oxo-2-(N-propan-2-ylanilino)ethyl] ethanesulfonate
CID 54206436

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide (CID 78760080) is 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)COc1cccc(C=O)c1)c1ccccc1.
What is the InChIKey of 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is PHLJJVSWAYUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(2)19(16-8-4-3-5-9-16)18(21)13-22-17-10-6-7-15(11-17)12-20/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide?
2-(3-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-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78760080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).