2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide

C15H18N4O3 — CID 100830958

IUPAC2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(COc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H18N4O3/c1-3-8-16-15(20)10-19-9-12(17-18-19)11-22-14-6-4-13(21-2)5-7-14/h3-7,9H,1,8,10-11H2,2H3,(H,16,20)
InChIKeyGHSVMICTNCATCO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.17
Rot. Bonds8

About 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide

2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide (PubChem CID 100830958) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
PubChem CID100830958
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(COc2ccc(OC)cc2)nn1
InChIInChI=1S/C15H18N4O3/c1-3-8-16-15(20)10-19-9-12(17-18-19)11-22-14-6-4-13(21-2)5-7-14/h3-7,9H,1,8,10-11H2,2H3,(H,16,20)
InChIKeyGHSVMICTNCATCO-UHFFFAOYSA-N
XLogP1.17
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 110210992
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 100830453
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
CID 100830162
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
2-[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461336
2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 2528957
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
2-[[5-[(4-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 7427302
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-[2-(furan-2-yl)ethyl]acetamide
CID 100830294
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide (CID 100830958) is 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cc(COc2ccc(OC)cc2)nn1.
What is the InChIKey of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide?
The InChIKey is GHSVMICTNCATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-8-16-15(20)10-19-9-12(17-18-19)11-22-14-6-4-13(21-2)5-7-14/h3-7,9H,1,8,10-11H2,2H3,(H,16,20).
What are the key properties of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide?
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide has a molecular weight of 302.33 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 100830958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).