3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide

C13H23N3O2 — CID 115410108

IUPAC3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
SMILESCCCC(CC(=O)NOCC(C)C)n1ccnc1
InChIInChI=1S/C13H23N3O2/c1-4-5-12(16-7-6-14-10-16)8-13(17)15-18-9-11(2)3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyHFXFCIPIIBBRJC-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.32
Rot. Bonds8

About 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide

3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide (PubChem CID 115410108) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
PubChem CID115410108
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
SMILESCCCC(CC(=O)NOCC(C)C)n1ccnc1
InChIInChI=1S/C13H23N3O2/c1-4-5-12(16-7-6-14-10-16)8-13(17)15-18-9-11(2)3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,15,17)
InChIKeyHFXFCIPIIBBRJC-UHFFFAOYSA-N
XLogP2.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide
CID 43430739
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103
3-imidazol-1-yl-N-(1H-imidazol-2-yl)hexanamide
CID 63563692
3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393971

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide?
The IUPAC name of 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide (CID 115410108) is 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide?
The canonical SMILES for 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide is CCCC(CC(=O)NOCC(C)C)n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide?
The InChIKey is HFXFCIPIIBBRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-12(16-7-6-14-10-16)8-13(17)15-18-9-11(2)3/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,15,17).
What are the key properties of 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide?
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide has a molecular weight of 253.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide is sourced from PubChem (CID 115410108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).