2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide

C15H21NO3 — CID 115628343

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C15H21NO3/c1-4-5-6-9-16-15(17)11-19-13-8-7-12(2)10-14(13)18-3/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyUQPNHLYGMFISKN-SNAWJCMRSA-N
MW263.34 g/mol
LogP2.46
Rot. Bonds7

About 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide (PubChem CID 115628343) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
PubChem CID115628343
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C15H21NO3/c1-4-5-6-9-16-15(17)11-19-13-8-7-12(2)10-14(13)18-3/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,16,17)/b5-4+
InChIKeyUQPNHLYGMFISKN-SNAWJCMRSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
N-[(E)-pent-3-enyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 115627905
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628333
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35011100
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide (CID 115628343) is 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)COc1ccc(C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is UQPNHLYGMFISKN-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-5-6-9-16-15(17)11-19-13-8-7-12(2)10-14(13)18-3/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,16,17)/b5-4+.
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 115628343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).