2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide

C16H23NO2 — CID 166301631

IUPAC2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide
SMILESC=CCC(C)(C)NC(=O)Cc1ccccc1COC
InChIInChI=1S/C16H23NO2/c1-5-10-16(2,3)17-15(18)11-13-8-6-7-9-14(13)12-19-4/h5-9H,1,10-12H2,2-4H3,(H,17,18)
InChIKeyLGUOJNGBHIBYRD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds7

About 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide

2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide (PubChem CID 166301631) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide
PubChem CID166301631
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide
SMILESC=CCC(C)(C)NC(=O)Cc1ccccc1COC
InChIInChI=1S/C16H23NO2/c1-5-10-16(2,3)17-15(18)11-13-8-6-7-9-14(13)12-19-4/h5-9H,1,10-12H2,2-4H3,(H,17,18)
InChIKeyLGUOJNGBHIBYRD-UHFFFAOYSA-N
XLogP2.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
2-hydroxy-3-[[2-(methoxymethyl)phenyl]methylamino]-2-methylpropanoic acid
CID 104644037
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
N-(2-azidoethyl)-2-[2-(methoxymethyl)phenyl]acetamide
CID 166283005
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110979997
N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-nitrophenyl)acetamide
CID 32602817
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
N-tert-butyl-2-[[2-(methoxymethyl)phenyl]carbamoylamino]acetamide
CID 86989240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide?
The IUPAC name of 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide (CID 166301631) is 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide.
What is the SMILES notation for 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide?
The canonical SMILES for 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide is C=CCC(C)(C)NC(=O)Cc1ccccc1COC.
What is the InChIKey of 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide?
The InChIKey is LGUOJNGBHIBYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-10-16(2,3)17-15(18)11-13-8-6-7-9-14(13)12-19-4/h5-9H,1,10-12H2,2-4H3,(H,17,18).
What are the key properties of 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide?
2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)phenyl]-N-(2-methylpent-4-en-2-yl)acetamide is sourced from PubChem (CID 166301631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).