N-(3-imidazol-1-ylpropyl)-2-methylpentanamide

C12H21N3O — CID 3360137

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

About N-(3-imidazol-1-ylpropyl)-2-methylpentanamide

N-(3-imidazol-1-ylpropyl)-2-methylpentanamide (PubChem CID 3360137) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methylpentanamide
PubChem CID3360137
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C12H21N3O/c1-3-5-11(2)12(16)14-6-4-8-15-9-7-13-10-15/h7,9-11H,3-6,8H2,1-2H3,(H,14,16)
InChIKeyOAGIWDCNZQQSAS-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

N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
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
N-tert-butyl-1-(3-imidazol-1-ylpropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361563
N-Hexyl-1H-imidazole-1-carboxamide
CID 19871863
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
cyclohexyl-N-(3-imidazolylpropyl)carboxamide
CID 3425823
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-heptyl-2-imidazol-1-yl-acetamide
CID 44139805
N-butyl-2-imidazol-1-yl-acetamide
CID 44139807
N,2-dibutylimidazole-1-carboxamide
CID 44306016

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylpentanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylpentanamide (CID 3360137) is N-(3-imidazol-1-ylpropyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methylpentanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methylpentanamide is CCCC(C)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methylpentanamide?
The InChIKey is OAGIWDCNZQQSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-11(2)12(16)14-6-4-8-15-9-7-13-10-15/h7,9-11H,3-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methylpentanamide?
N-(3-imidazol-1-ylpropyl)-2-methylpentanamide 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 N-(3-imidazol-1-ylpropyl)-2-methylpentanamide is sourced from PubChem (CID 3360137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).