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

C15H21N5O2 — CID 119733347

IUPACN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)CNCCOC
InChIInChI=1S/C15H21N5O2/c1-3-20-11-17-19-15(20)12-6-4-5-7-13(12)18-14(21)10-16-8-9-22-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyRQHFJFMCUCFODS-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.14
Rot. Bonds8

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

N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119733347) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119733347
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide
SMILESCCn1cnnc1-c1ccccc1NC(=O)CNCCOC
InChIInChI=1S/C15H21N5O2/c1-3-20-11-17-19-15(20)12-6-4-5-7-13(12)18-14(21)10-16-8-9-22-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyRQHFJFMCUCFODS-UHFFFAOYSA-N
XLogP1.14
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 120560664
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536714
2-(2-methoxyethylamino)-N-[2-(tetrazol-1-yl)phenyl]acetamide
CID 79282051
4-[[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoylamino]butanoic acid
CID 122079973
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylphenyl)acetamide;hydrochloride
CID 119399994
N,N-diethyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119746610
2-(2-methoxyethylamino)-N-(2-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119400016
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 79281012
3-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119733331
N-[2-[(dimethylamino)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281335
2-(2-methoxyethylamino)-N-[2-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 119792295
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119294822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide (CID 119733347) is N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide is CCn1cnnc1-c1ccccc1NC(=O)CNCCOC.
What is the InChIKey of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is RQHFJFMCUCFODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-20-11-17-19-15(20)12-6-4-5-7-13(12)18-14(21)10-16-8-9-22-2/h4-7,11,16H,3,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide?
N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119733347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).