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

C14H18N4O2 — CID 64548351

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2ncn[nH]2)cc1C
InChIInChI=1S/C14H18N4O2/c1-10-3-4-12(7-11(10)2)20-8-14(19)15-6-5-13-16-9-17-18-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyDULMESMOZWEAJM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.16
Rot. Bonds6

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

2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64548351) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64548351
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2ncn[nH]2)cc1C
InChIInChI=1S/C14H18N4O2/c1-10-3-4-12(7-11(10)2)20-8-14(19)15-6-5-13-16-9-17-18-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyDULMESMOZWEAJM-UHFFFAOYSA-N
XLogP1.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64530017
2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64529419
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
N-[2-(5,6-dichloro-1H-benzimidazol-2-yl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 59018410
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64548351) is 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCc2ncn[nH]2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is DULMESMOZWEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-3-4-12(7-11(10)2)20-8-14(19)15-6-5-13-16-9-17-18-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64548351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).