N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide

C11H19N3O — CID 168788004

IUPACN-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide
SMILESCCC(NC(=O)C(C)(C)C)C1=NCC=N1
InChIInChI=1S/C11H19N3O/c1-5-8(9-12-6-7-13-9)14-10(15)11(2,3)4/h6,8H,5,7H2,1-4H3,(H,14,15)
InChIKeyNCGYHAZBMRRWNB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.41
Rot. Bonds3

About N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide

N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide (PubChem CID 168788004) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide
PubChem CID168788004
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide
SMILESCCC(NC(=O)C(C)(C)C)C1=NCC=N1
InChIInChI=1S/C11H19N3O/c1-5-8(9-12-6-7-13-9)14-10(15)11(2,3)4/h6,8H,5,7H2,1-4H3,(H,14,15)
InChIKeyNCGYHAZBMRRWNB-UHFFFAOYSA-N
XLogP1.41
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide (CID 168788004) is N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide is CCC(NC(=O)C(C)(C)C)C1=NCC=N1.
What is the InChIKey of N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide?
The InChIKey is NCGYHAZBMRRWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-8(9-12-6-7-13-9)14-10(15)11(2,3)4/h6,8H,5,7H2,1-4H3,(H,14,15).
What are the key properties of N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide?
N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4H-imidazol-2-yl)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168788004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).