N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide

C15H20N4O — CID 61402347

IUPACN-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
SMILESCCc1nccn1CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-2-14-17-9-11-19(14)10-3-4-15(20)18-13-7-5-12(16)6-8-13/h5-9,11H,2-4,10,16H2,1H3,(H,18,20)
InChIKeyUCDJANUWHSEITO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.45
Rot. Bonds6

About N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide

N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide (PubChem CID 61402347) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
PubChem CID61402347
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide
SMILESCCc1nccn1CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H20N4O/c1-2-14-17-9-11-19(14)10-3-4-15(20)18-13-7-5-12(16)6-8-13/h5-9,11H,2-4,10,16H2,1H3,(H,18,20)
InChIKeyUCDJANUWHSEITO-UHFFFAOYSA-N
XLogP2.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-fluorophenyl)-4-(2-ethylimidazol-1-yl)butanamide
CID 61402394
N-(3-amino-4-fluorophenyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 61402367
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
3-(2-ethylimidazol-1-yl)-N-[4-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]propanamide
CID 164642145
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
CID 114760151
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-chloro-4-[3-(2-ethylimidazol-1-yl)propylcarbamoylamino]benzamide
CID 118782102
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131925545
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
4-amino-N-(4-aminophenyl)butanamide
CID 90105668

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
The IUPAC name of N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide (CID 61402347) is N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide is CCc1nccn1CCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
The InChIKey is UCDJANUWHSEITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-14-17-9-11-19(14)10-3-4-15(20)18-13-7-5-12(16)6-8-13/h5-9,11H,2-4,10,16H2,1H3,(H,18,20).
What are the key properties of N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide?
N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-(2-ethylimidazol-1-yl)butanamide is sourced from PubChem (CID 61402347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).