N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide

C14H19N5O2 — CID 63332382

IUPACN-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCCc2nncn2C)cc1
InChIInChI=1S/C14H19N5O2/c1-19-10-16-18-13(19)7-8-15-9-14(20)17-11-3-5-12(21-2)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,17,20)
InChIKeyQCZPIDZUFZLCFO-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.59
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide

N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (PubChem CID 63332382) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
PubChem CID63332382
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
SMILESCOc1ccc(NC(=O)CNCCc2nncn2C)cc1
InChIInChI=1S/C14H19N5O2/c1-19-10-16-18-13(19)7-8-15-9-14(20)17-11-3-5-12(21-2)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,17,20)
InChIKeyQCZPIDZUFZLCFO-UHFFFAOYSA-N
XLogP0.59
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.59
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

2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-(4-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)acetamide
CID 104760150
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
N-(4-methoxyphenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 106400786
N-butyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55201136
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
N-(4-ethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005223
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001204
N-(4-chlorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005237
2-(hex-5-ynylamino)-N-(4-methoxyphenyl)acetamide
CID 106211596

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide (CID 63332382) is N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is COc1ccc(NC(=O)CNCCc2nncn2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
The InChIKey is QCZPIDZUFZLCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19-10-16-18-13(19)7-8-15-9-14(20)17-11-3-5-12(21-2)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide?
N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide is sourced from PubChem (CID 63332382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).