3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide

C16H23N5O — CID 120613296

IUPAC3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nncn1CCNC(=O)CCc1ccccc1N
InChIInChI=1S/C16H23N5O/c1-12(2)16-20-19-11-21(16)10-9-18-15(22)8-7-13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,22)
InChIKeyDLWAILNFEUMNES-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.73
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide

3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide (PubChem CID 120613296) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
PubChem CID120613296
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
SMILESCC(C)c1nncn1CCNC(=O)CCc1ccccc1N
InChIInChI=1S/C16H23N5O/c1-12(2)16-20-19-11-21(16)10-9-18-15(22)8-7-13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,22)
InChIKeyDLWAILNFEUMNES-UHFFFAOYSA-N
XLogP1.73
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide 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

7-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]heptanamide
CID 119891057
3-(2-aminophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanamide;dihydrochloride
CID 120612519
(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
CID 119891087
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
CID 119891069
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
(2R)-2-(azepan-1-yl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 95905700
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide (CID 120613296) is 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide is CC(C)c1nncn1CCNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
The InChIKey is DLWAILNFEUMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)16-20-19-11-21(16)10-9-18-15(22)8-7-13-5-3-4-6-14(13)17/h3-6,11-12H,7-10,17H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 120613296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).