2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide

C13H21N3O — CID 169041050

IUPAC2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide
SMILESCC1C=NC(C2(NC(=O)C(C)(C)C)CCC2)=N1
InChIInChI=1S/C13H21N3O/c1-9-8-14-10(15-9)13(6-5-7-13)16-11(17)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyUUQNWRWZBZLKEF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds2

About 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide

2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide (PubChem CID 169041050) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide
PubChem CID169041050
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide
SMILESCC1C=NC(C2(NC(=O)C(C)(C)C)CCC2)=N1
InChIInChI=1S/C13H21N3O/c1-9-8-14-10(15-9)13(6-5-7-13)16-11(17)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyUUQNWRWZBZLKEF-UHFFFAOYSA-N
XLogP1.94
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide (CID 169041050) is 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide is CC1C=NC(C2(NC(=O)C(C)(C)C)CCC2)=N1.
What is the InChIKey of 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide?
The InChIKey is UUQNWRWZBZLKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-14-10(15-9)13(6-5-7-13)16-11(17)12(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide?
2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(4-methyl-4H-imidazol-2-yl)cyclobutyl]propanamide is sourced from PubChem (CID 169041050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).