2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide

C15H21N5O — CID 63999159

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)(N)c1cn(CC(=O)NCCc2ccccc2)nn1
InChIInChI=1S/C15H21N5O/c1-15(2,16)13-10-20(19-18-13)11-14(21)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11,16H2,1-2H3,(H,17,21)
InChIKeyGCBACUYITRVVQL-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 63999159) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID63999159
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC(C)(N)c1cn(CC(=O)NCCc2ccccc2)nn1
InChIInChI=1S/C15H21N5O/c1-15(2,16)13-10-20(19-18-13)11-14(21)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11,16H2,1-2H3,(H,17,21)
InChIKeyGCBACUYITRVVQL-UHFFFAOYSA-N
XLogP0.83
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-butylacetamide
CID 63998333
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 63999342
2-[1-(3-phenylpropyl)triazol-4-yl]propan-2-amine
CID 63999545
2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 60548380
N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
2-[4-(1-aminoethyl)triazol-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 114419663
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 100831239
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220873
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63999160
ethyl N-[1-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112528965
2-(4-acetamidotriazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 112529522

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide (CID 63999159) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide is CC(C)(N)c1cn(CC(=O)NCCc2ccccc2)nn1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is GCBACUYITRVVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,16)13-10-20(19-18-13)11-14(21)17-9-8-12-6-4-3-5-7-12/h3-7,10H,8-9,11,16H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 63999159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).