N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide

C17H17NO3 — CID 63325172

IUPACN-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H17NO3/c1-13-7-8-16(15(9-13)11-19)21-12-17(20)18-10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,18,20)
InChIKeyOOMWNWJTLVVNCX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds6

About N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide

N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide (PubChem CID 63325172) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
PubChem CID63325172
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2)c(C=O)c1
InChIInChI=1S/C17H17NO3/c1-13-7-8-16(15(9-13)11-19)21-12-17(20)18-10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,18,20)
InChIKeyOOMWNWJTLVVNCX-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
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

2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456585
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
N-(2-chlorophenyl)-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325346
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 60513930
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
N-ethyl-3-[[[2-(2-formylphenoxy)acetyl]amino]methyl]benzamide
CID 60513737
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
methyl 3-[2-(2-formyl-4-methylphenoxy)acetyl]azulene-1-carboxylate
CID 11068444

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide?
The IUPAC name of N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide (CID 63325172) is N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCc2ccccc2)c(C=O)c1.
What is the InChIKey of N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide?
The InChIKey is OOMWNWJTLVVNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-13-7-8-16(15(9-13)11-19)21-12-17(20)18-10-14-5-3-2-4-6-14/h2-9,11H,10,12H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide?
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide is sourced from PubChem (CID 63325172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).