N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide

C13H15NO2 — CID 134830551

IUPACN-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide
SMILESC=C(NC(C)=O)C(=C)c1ccc(OC)cc1
InChIInChI=1S/C13H15NO2/c1-9(10(2)14-11(3)15)12-5-7-13(16-4)8-6-12/h5-8H,1-2H2,3-4H3,(H,14,15)
InChIKeyFTJHGNDJNQSKTI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.36
Rot. Bonds4

About N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide

N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide (PubChem CID 134830551) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide
PubChem CID134830551
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide
SMILESC=C(NC(C)=O)C(=C)c1ccc(OC)cc1
InChIInChI=1S/C13H15NO2/c1-9(10(2)14-11(3)15)12-5-7-13(16-4)8-6-12/h5-8H,1-2H2,3-4H3,(H,14,15)
InChIKeyFTJHGNDJNQSKTI-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 104735
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N-((4-methoxyphenyl)methyl)acetamide
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CID 653397
N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4053755
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CID 10330235
N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 10420555
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CID 85725
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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide (CID 134830551) is N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide is C=C(NC(C)=O)C(=C)c1ccc(OC)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide?
The InChIKey is FTJHGNDJNQSKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(10(2)14-11(3)15)12-5-7-13(16-4)8-6-12/h5-8H,1-2H2,3-4H3,(H,14,15).
What are the key properties of N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide?
N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)buta-1,3-dien-2-yl]acetamide is sourced from PubChem (CID 134830551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).