2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide

C23H21NO4 — CID 60513930

IUPAC2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=Cc1ccccc1OCC(=O)NCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c25-15-20-6-4-5-9-22(20)28-17-23(26)24-14-18-10-12-19(13-11-18)16-27-21-7-2-1-3-8-21/h1-13,15H,14,16-17H2,(H,24,26)
InChIKeyCWZYLJVOCAIQQN-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.77
Rot. Bonds9

About 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide

2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (PubChem CID 60513930) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
PubChem CID60513930
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
SMILESO=Cc1ccccc1OCC(=O)NCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H21NO4/c25-15-20-6-4-5-9-22(20)28-17-23(26)24-14-18-10-12-19(13-11-18)16-27-21-7-2-1-3-8-21/h1-13,15H,14,16-17H2,(H,24,26)
InChIKeyCWZYLJVOCAIQQN-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
N-[4-[[[2-(2-formylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 30332762
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
N-ethyl-3-[[[2-(2-formylphenoxy)acetyl]amino]methyl]benzamide
CID 60513737
2-phenoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 47043812
2-(2-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-(2-formylphenoxy)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60513932

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide (CID 60513930) is 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is O=Cc1ccccc1OCC(=O)NCc1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
The InChIKey is CWZYLJVOCAIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-15-20-6-4-5-9-22(20)28-17-23(26)24-14-18-10-12-19(13-11-18)16-27-21-7-2-1-3-8-21/h1-13,15H,14,16-17H2,(H,24,26).
What are the key properties of 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide?
2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide has a molecular weight of 375.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylphenoxy)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60513930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).