2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C22H24N4O3 — CID 51197686

IUPAC2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESC=CCc1ccc(OCC(=O)NC(C)c2ccc(-n3cncn3)cc2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-4-5-17-6-11-20(21(12-17)28-3)29-13-22(27)25-16(2)18-7-9-19(10-8-18)26-15-23-14-24-26/h4,6-12,14-16H,1,5,13H2,2-3H3,(H,25,27)
InChIKeyBIRABNGHZUPMIF-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.26
Rot. Bonds9

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 51197686) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID51197686
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESC=CCc1ccc(OCC(=O)NC(C)c2ccc(-n3cncn3)cc2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-4-5-17-6-11-20(21(12-17)28-3)29-13-22(27)25-16(2)18-7-9-19(10-8-18)26-15-23-14-24-26/h4,6-12,14-16H,1,5,13H2,2-3H3,(H,25,27)
InChIKeyBIRABNGHZUPMIF-UHFFFAOYSA-N
XLogP3.26
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.26
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

2-(2-methoxy-4-prop-2-enylphenoxy)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 26422403
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7993181
2-(4-bromo-2-fluorophenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 27864454
2-(4-propan-2-ylphenoxy)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 25471828
2-(2-benzylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41103412
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
2-(4-phenoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 134011978
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47046813
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804216

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 51197686) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is C=CCc1ccc(OCC(=O)NC(C)c2ccc(-n3cncn3)cc2)c(OC)c1.
What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is BIRABNGHZUPMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-5-17-6-11-20(21(12-17)28-3)29-13-22(27)25-16(2)18-7-9-19(10-8-18)26-15-23-14-24-26/h4,6-12,14-16H,1,5,13H2,2-3H3,(H,25,27).
What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 51197686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).