N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide

C11H19N3O — CID 3494332

IUPACN-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H19N3O/c1-11(2,3)10(15)13-5-4-7-14-8-6-12-9-14/h6,8-9H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyNCQJZZZAIUUMLM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds4

About N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide

N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide (PubChem CID 3494332) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
PubChem CID3494332
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H19N3O/c1-11(2,3)10(15)13-5-4-7-14-8-6-12-9-14/h6,8-9H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyNCQJZZZAIUUMLM-UHFFFAOYSA-N
XLogP1.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

1-Butyrylimidazole
CID 643404
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
3-(2-Imidazol-1-ylethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 47164586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 659695
1-(3-(1H-imidazol-1-yl)propyl)-3-(1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl)urea
CID 659593
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
(2S)-3,3-Dimethyl-2-(((1-methyl-1H-imidazol-2-yl)methyl)amino)-N-((1R)-1,2,2-trimethylpropyl)butanamide
CID 11851249
2,2,2-trichloro-N-[3-(1H-imidazol-1-yl)propyl]acetamide
CID 2889672

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide (CID 3494332) is N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
The InChIKey is NCQJZZZAIUUMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)10(15)13-5-4-7-14-8-6-12-9-14/h6,8-9H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide?
N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 3494332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).