2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

C15H20N4O2 — CID 64547070

IUPAC2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C15H20N4O2/c1-11-5-3-6-12(2)15(11)21-9-14(20)16-8-4-7-13-17-10-18-19-13/h3,5-6,10H,4,7-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyGUUUPNYZODLDRT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.55
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide

2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (PubChem CID 64547070) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
PubChem CID64547070
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C15H20N4O2/c1-11-5-3-6-12(2)15(11)21-9-14(20)16-8-4-7-13-17-10-18-19-13/h3,5-6,10H,4,7-9H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyGUUUPNYZODLDRT-UHFFFAOYSA-N
XLogP1.55
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547664
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
N-(3-acetamidopropyl)-2-(2,6-dimethylphenoxy)acetamide
CID 38448955
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
2-(2,6-dimethylphenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716567
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2-[(3-methylphenyl)methylsulfanyl]-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548279

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide (CID 64547070) is 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is Cc1cccc(C)c1OCC(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
The InChIKey is GUUUPNYZODLDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-5-3-6-12(2)15(11)21-9-14(20)16-8-4-7-13-17-10-18-19-13/h3,5-6,10H,4,7-9H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide is sourced from PubChem (CID 64547070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).