2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide

C14H19NO4 — CID 8633827

IUPAC2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(OCC(=O)NCC(C)C)c(C=O)c1
InChIInChI=1S/C14H19NO4/c1-10(2)7-15-14(17)9-19-13-5-4-12(18-3)6-11(13)8-16/h4-6,8,10H,7,9H2,1-3H3,(H,15,17)
InChIKeyRDPSZNDQJXDBTH-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.66
Rot. Bonds7

About 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide

2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 8633827) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
PubChem CID8633827
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
SMILESCOc1ccc(OCC(=O)NCC(C)C)c(C=O)c1
InChIInChI=1S/C14H19NO4/c1-10(2)7-15-14(17)9-19-13-5-4-12(18-3)6-11(13)8-16/h4-6,8,10H,7,9H2,1-3H3,(H,15,17)
InChIKeyRDPSZNDQJXDBTH-UHFFFAOYSA-N
XLogP1.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.66
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-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 60624633
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
2-(2-acetyl-5-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 7688307
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634222
2-(2-formyl-4-methoxyphenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8634027
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
4-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-methylbenzamide
CID 9199687

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide (CID 8633827) is 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide is COc1ccc(OCC(=O)NCC(C)C)c(C=O)c1.
What is the InChIKey of 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is RDPSZNDQJXDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(2)7-15-14(17)9-19-13-5-4-12(18-3)6-11(13)8-16/h4-6,8,10H,7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide?
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 8633827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).