N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide

C16H15NO3 — CID 62134240

IUPACN-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C=O)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-9-14(8-7-13(11)10-18)20-16-6-4-3-5-15(16)17-12(2)19/h3-10H,1-2H3,(H,17,19)
InChIKeyDOZNGGJVGRCCGG-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide

N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide (PubChem CID 62134240) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide
PubChem CID62134240
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1ccc(C=O)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-9-14(8-7-13(11)10-18)20-16-6-4-3-5-15(16)17-12(2)19/h3-10H,1-2H3,(H,17,19)
InChIKeyDOZNGGJVGRCCGG-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-3-methylphenyl) ethaneperoxoate
CID 158707388
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
N-[2-(3-bromo-4-cyanophenoxy)phenyl]acetamide
CID 107276937
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
4-(2-acetamidophenoxy)-3-methylbenzoic acid
CID 62120796
N-[2-(5-formylthiophen-2-yl)oxyphenyl]acetamide
CID 113403885
(2-acetamidophenyl) hypochlorite
CID 150463309
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
4-(3-bromophenoxy)-2-methylbenzaldehyde
CID 62136616
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide?
The IUPAC name of N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide (CID 62134240) is N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide?
The canonical SMILES for N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide is CC(=O)Nc1ccccc1Oc1ccc(C=O)c(C)c1.
What is the InChIKey of N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide?
The InChIKey is DOZNGGJVGRCCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-9-14(8-7-13(11)10-18)20-16-6-4-3-5-15(16)17-12(2)19/h3-10H,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide?
N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formyl-3-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 62134240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).