2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide

C15H21NO2 — CID 115628333

IUPAC2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C15H21NO2/c1-4-5-6-7-16-15(17)11-18-14-9-12(2)8-13(3)10-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyFXOMUADGCGTCJI-SNAWJCMRSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide

2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide (PubChem CID 115628333) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
PubChem CID115628333
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C15H21NO2/c1-4-5-6-7-16-15(17)11-18-14-9-12(2)8-13(3)10-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyFXOMUADGCGTCJI-SNAWJCMRSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
CID 103919351
N-[(E)-pent-3-enyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 115627905
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21367691
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391085
2-(3,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 60624693
methyl (E)-5-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]pent-2-enoate
CID 146076901
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,5-dimethylphenoxy)acetamide
CID 103770426

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide (CID 115628333) is 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is FXOMUADGCGTCJI-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-5-6-7-16-15(17)11-18-14-9-12(2)8-13(3)10-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 115628333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).