2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide

C18H19NO5 — CID 8633789

IUPAC2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(OC)cc2C=O)c1
InChIInChI=1S/C18H19NO5/c1-22-15-5-3-4-13(8-15)10-19-18(21)12-24-17-7-6-16(23-2)9-14(17)11-20/h3-9,11H,10,12H2,1-2H3,(H,19,21)
InChIKeyJWGKVLOXZMRCDT-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.21
Rot. Bonds8

About 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide

2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 8633789) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID8633789
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)COc2ccc(OC)cc2C=O)c1
InChIInChI=1S/C18H19NO5/c1-22-15-5-3-4-13(8-15)10-19-18(21)12-24-17-7-6-16(23-2)9-14(17)11-20/h3-9,11H,10,12H2,1-2H3,(H,19,21)
InChIKeyJWGKVLOXZMRCDT-UHFFFAOYSA-N
XLogP2.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-(2,3-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921514
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
N-benzyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63325172
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide (CID 8633789) is 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)COc2ccc(OC)cc2C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is JWGKVLOXZMRCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-15-5-3-4-13(8-15)10-19-18(21)12-24-17-7-6-16(23-2)9-14(17)11-20/h3-9,11H,10,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 329.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8633789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).