2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide

C14H17N5O4 — CID 112521461

IUPAC2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc(NC(C)=O)n2)c(OC)c1
InChIInChI=1S/C14H17N5O4/c1-9(20)16-13-7-15-19(18-13)8-14(21)17-11-5-4-10(22-2)6-12(11)23-3/h4-7H,8H2,1-3H3,(H,17,21)(H,16,18,20)
InChIKeyBMJJFPJWFWPOCV-UHFFFAOYSA-N
MW319.32 g/mol
LogP0.89
Rot. Bonds6

About 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide

2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 112521461) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID112521461
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc(NC(C)=O)n2)c(OC)c1
InChIInChI=1S/C14H17N5O4/c1-9(20)16-13-7-15-19(18-13)8-14(21)17-11-5-4-10(22-2)6-12(11)23-3/h4-7H,8H2,1-3H3,(H,17,21)(H,16,18,20)
InChIKeyBMJJFPJWFWPOCV-UHFFFAOYSA-N
XLogP0.89
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112521464
2-(4-aminotriazol-2-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 112520898
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(2,4-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749626
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
ethyl N-[2-[2-[2-methoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112523331
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7659824
ethyl N-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521547

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide (CID 112521461) is 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ncc(NC(C)=O)n2)c(OC)c1.
What is the InChIKey of 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is BMJJFPJWFWPOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-9(20)16-13-7-15-19(18-13)8-14(21)17-11-5-4-10(22-2)6-12(11)23-3/h4-7H,8H2,1-3H3,(H,17,21)(H,16,18,20).
What are the key properties of 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide?
2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 319.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 112521461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).