N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide

C21H24N4O2 — CID 71905466

IUPACN-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
SMILESCn1nc(-c2ccccc2)nc1CCNC(=O)COCCc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-25-19(23-21(24-25)18-10-6-3-7-11-18)12-14-22-20(26)16-27-15-13-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,22,26)
InChIKeyLIRQAFNZDTYKAO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.40
Rot. Bonds9

About N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide

N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide (PubChem CID 71905466) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
PubChem CID71905466
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
SMILESCn1nc(-c2ccccc2)nc1CCNC(=O)COCCc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-25-19(23-21(24-25)18-10-6-3-7-11-18)12-14-22-20(26)16-27-15-13-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,22,26)
InChIKeyLIRQAFNZDTYKAO-UHFFFAOYSA-N
XLogP2.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 62734128
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 75396439
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230954
2-(2-phenylethoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394011
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311
N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 46994346
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
The IUPAC name of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide (CID 71905466) is N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide.
What is the SMILES notation for N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
The canonical SMILES for N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide is Cn1nc(-c2ccccc2)nc1CCNC(=O)COCCc1ccccc1.
What is the InChIKey of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
The InChIKey is LIRQAFNZDTYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-25-19(23-21(24-25)18-10-6-3-7-11-18)12-14-22-20(26)16-27-15-13-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide?
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide has a molecular weight of 364.45 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-2-(2-phenylethoxy)acetamide is sourced from PubChem (CID 71905466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).