N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide

C21H24N4O3 — CID 166272884

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(-c3ccc(C)cc3)nn2)cc1OC
InChIInChI=1S/C21H24N4O3/c1-15-4-7-17(8-5-15)18-13-25(24-23-18)14-21(26)22-11-10-16-6-9-19(27-2)20(12-16)28-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,26)
InChIKeyYCHUGVFEWLMZEW-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.63
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide (PubChem CID 166272884) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
PubChem CID166272884
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(-c3ccc(C)cc3)nn2)cc1OC
InChIInChI=1S/C21H24N4O3/c1-15-4-7-17(8-5-15)18-13-25(24-23-18)14-21(26)22-11-10-16-6-9-19(27-2)20(12-16)28-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,26)
InChIKeyYCHUGVFEWLMZEW-UHFFFAOYSA-N
XLogP2.63
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
4-[1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]benzenesulfonyl fluoride
CID 166411680
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-propan-2-yloxyphenyl)triazol-1-yl]acetamide
CID 166287289
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 3408500
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 51363551
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide
CID 28942362
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide (CID 166272884) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide is COc1ccc(CCNC(=O)Cn2cc(-c3ccc(C)cc3)nn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
The InChIKey is YCHUGVFEWLMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-4-7-17(8-5-15)18-13-25(24-23-18)14-21(26)22-11-10-16-6-9-19(27-2)20(12-16)28-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,22,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 166272884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).