3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide

C13H22N4O — CID 114721917

IUPAC3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCn1cncc1C1CNC1
InChIInChI=1S/C13H22N4O/c1-13(2,3)16-12(18)4-5-17-9-15-8-11(17)10-6-14-7-10/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyRXZQZWHMFFOBLZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.87
Rot. Bonds4

About 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide

3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide (PubChem CID 114721917) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide
PubChem CID114721917
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCn1cncc1C1CNC1
InChIInChI=1S/C13H22N4O/c1-13(2,3)16-12(18)4-5-17-9-15-8-11(17)10-6-14-7-10/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyRXZQZWHMFFOBLZ-UHFFFAOYSA-N
XLogP0.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide?
The IUPAC name of 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide (CID 114721917) is 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide?
The canonical SMILES for 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide is CC(C)(C)NC(=O)CCn1cncc1C1CNC1.
What is the InChIKey of 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide?
The InChIKey is RXZQZWHMFFOBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)16-12(18)4-5-17-9-15-8-11(17)10-6-14-7-10/h8-10,14H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide?
3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidin-3-yl)imidazol-1-yl]-N-tert-butylpropanamide is sourced from PubChem (CID 114721917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).