2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C14H18N4O3 — CID 64529419

IUPAC2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ncn[nH]2)c(OC)c1
InChIInChI=1S/C14H18N4O3/c1-20-11-4-3-10(12(8-11)21-2)7-14(19)15-6-5-13-16-9-17-18-13/h3-4,8-9H,5-7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyCDULJPLFNOHOKY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.72
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64529419) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64529419
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ncn[nH]2)c(OC)c1
InChIInChI=1S/C14H18N4O3/c1-20-11-4-3-10(12(8-11)21-2)7-14(19)15-6-5-13-16-9-17-18-13/h3-4,8-9H,5-7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyCDULJPLFNOHOKY-UHFFFAOYSA-N
XLogP0.72
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
2-bromo-5-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546437
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64529419) is 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2ncn[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is CDULJPLFNOHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-20-11-4-3-10(12(8-11)21-2)7-14(19)15-6-5-13-16-9-17-18-13/h3-4,8-9H,5-7H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64529419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).