N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide

C14H18N4O — CID 54924533

IUPACN-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O/c1-15-7-3-6-14(19)17-12-4-2-5-13(10-12)18-9-8-16-11-18/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,17,19)
InChIKeyCGFZPAAOHVRTKJ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.81
Rot. Bonds6

About N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide

N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide (PubChem CID 54924533) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide
PubChem CID54924533
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC NameN-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C14H18N4O/c1-15-7-3-6-14(19)17-12-4-2-5-13(10-12)18-9-8-16-11-18/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,17,19)
InChIKeyCGFZPAAOHVRTKJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide (CID 54924533) is N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide is CNCCCC(=O)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide?
The InChIKey is CGFZPAAOHVRTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-7-3-6-14(19)17-12-4-2-5-13(10-12)18-9-8-16-11-18/h2,4-5,8-11,15H,3,6-7H2,1H3,(H,17,19).
What are the key properties of N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide?
N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide has a molecular weight of 258.33 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylphenyl)-4-(methylamino)butanamide is sourced from PubChem (CID 54924533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).