3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide

C17H24N4O — CID 120612579

IUPAC3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
SMILESCc1nccn1CC(C)CNC(=O)CCc1ccccc1N
InChIInChI=1S/C17H24N4O/c1-13(12-21-10-9-19-14(21)2)11-20-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,9-10,13H,7-8,11-12,18H2,1-2H3,(H,20,22)
InChIKeyMJGWFSRTWKBFIW-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.16
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide

3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide (PubChem CID 120612579) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
PubChem CID120612579
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
SMILESCc1nccn1CC(C)CNC(=O)CCc1ccccc1N
InChIInChI=1S/C17H24N4O/c1-13(12-21-10-9-19-14(21)2)11-20-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,9-10,13H,7-8,11-12,18H2,1-2H3,(H,20,22)
InChIKeyMJGWFSRTWKBFIW-UHFFFAOYSA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]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

4-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 119857880
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3,3-diphenylpropanamide
CID 60559095
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 119857841
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-phenylpropanamide;dihydrochloride
CID 120595719
N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 94159666
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60559475
4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-phenylprop-2-enamide
CID 76868468
2-amino-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]pentanamide;dihydrochloride
CID 119857824
5-amino-2-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]benzamide
CID 120644394
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide (CID 120612579) is 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide is Cc1nccn1CC(C)CNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
The InChIKey is MJGWFSRTWKBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(12-21-10-9-19-14(21)2)11-20-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,9-10,13H,7-8,11-12,18H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide?
3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide has a molecular weight of 300.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide is sourced from PubChem (CID 120612579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).