N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide

C16H15NO3 — CID 106912590

IUPACN-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C16H15NO3/c1-20-15-7-5-12(6-8-15)10-16(19)17-14-4-2-3-13(9-14)11-18/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyZDBJWHNWFIPSJM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.69
Rot. Bonds5

About N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide

N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide (PubChem CID 106912590) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
PubChem CID106912590
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(C=O)c2)cc1
InChIInChI=1S/C16H15NO3/c1-20-15-7-5-12(6-8-15)10-16(19)17-14-4-2-3-13(9-14)11-18/h2-9,11H,10H2,1H3,(H,17,19)
InChIKeyZDBJWHNWFIPSJM-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.69
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

N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide (CID 106912590) is N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(C=O)c2)cc1.
What is the InChIKey of N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZDBJWHNWFIPSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-15-7-5-12(6-8-15)10-16(19)17-14-4-2-3-13(9-14)11-18/h2-9,11H,10H2,1H3,(H,17,19).
What are the key properties of N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide?
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 106912590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).