2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide

C12H21N3O — CID 3389685

IUPAC2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCCC(CC)C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-3-11(4-2)12(16)14-6-5-8-15-9-7-13-10-15/h7,9-11H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyIIJLOQLGQXRIIH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.83
Rot. Bonds7

About 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide

2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide (PubChem CID 3389685) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide
PubChem CID3389685
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide
SMILESCCC(CC)C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-3-11(4-2)12(16)14-6-5-8-15-9-7-13-10-15/h7,9-11H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyIIJLOQLGQXRIIH-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyrylimidazole
CID 643404
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
(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-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
2,2-dichloro-N-[3-(1H-imidazol-1-yl)propyl]-1-methylcyclopropanecarboxamide
CID 2970407
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]propanamide
CID 9614329
2-ethylbutyl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045617
3-methylpentan-2-yl N-(3-imidazol-1-ylpropyl)carbamate
CID 127045621
N-butyl-1H-imidazole-1-carboxamide
CID 12394419
N-Hexyl-1H-imidazole-1-carboxamide
CID 19871863

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide?
The IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide (CID 3389685) is 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide?
The canonical SMILES for 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide is CCC(CC)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide?
The InChIKey is IIJLOQLGQXRIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-11(4-2)12(16)14-6-5-8-15-9-7-13-10-15/h7,9-11H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide?
2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-imidazol-1-ylpropyl)butanamide is sourced from PubChem (CID 3389685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).