2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C16H23NO4 — CID 115699567

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C16H23NO4/c1-12(2)10-20-8-7-17-16(18)11-21-14-6-5-13(3)9-15(14)19-4/h5-6,9H,1,7-8,10-11H2,2-4H3,(H,17,18)
InChIKeyOQYNVDCGEZJSEP-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.09
Rot. Bonds9

About 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 115699567) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID115699567
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C16H23NO4/c1-12(2)10-20-8-7-17-16(18)11-21-14-6-5-13(3)9-15(14)19-4/h5-6,9H,1,7-8,10-11H2,2-4H3,(H,17,18)
InChIKeyOQYNVDCGEZJSEP-UHFFFAOYSA-N
XLogP2.09
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 18198635
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
2-(2,5-dimethylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699527
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35011100
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 115699567) is 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)COc1ccc(C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is OQYNVDCGEZJSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)10-20-8-7-17-16(18)11-21-14-6-5-13(3)9-15(14)19-4/h5-6,9H,1,7-8,10-11H2,2-4H3,(H,17,18).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 115699567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).