4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide

C12H22N4O — CID 119762499

IUPAC4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
SMILESCNCCCC(=O)Nc1nccn1CC(C)C
InChIInChI=1S/C12H22N4O/c1-10(2)9-16-8-7-14-12(16)15-11(17)5-4-6-13-3/h7-8,10,13H,4-6,9H2,1-3H3,(H,14,15,17)
InChIKeyPTRZOSIXODGSNZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds7

About 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide

4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide (PubChem CID 119762499) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
PubChem CID119762499
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide
SMILESCNCCCC(=O)Nc1nccn1CC(C)C
InChIInChI=1S/C12H22N4O/c1-10(2)9-16-8-7-14-12(16)15-11(17)5-4-6-13-3/h7-8,10,13H,4-6,9H2,1-3H3,(H,14,15,17)
InChIKeyPTRZOSIXODGSNZ-UHFFFAOYSA-N
XLogP1.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
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 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide?
The IUPAC name of 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide (CID 119762499) is 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide is CNCCCC(=O)Nc1nccn1CC(C)C.
What is the InChIKey of 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide?
The InChIKey is PTRZOSIXODGSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)9-16-8-7-14-12(16)15-11(17)5-4-6-13-3/h7-8,10,13H,4-6,9H2,1-3H3,(H,14,15,17).
What are the key properties of 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide?
4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(2-methylpropyl)imidazol-2-yl]butanamide is sourced from PubChem (CID 119762499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).