N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide

C15H27N3O2 — CID 106166604

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC(C)(CC)CCO)n1ccnc1
InChIInChI=1S/C15H27N3O2/c1-4-6-13(18-9-8-16-12-18)11-14(20)17-15(3,5-2)7-10-19/h8-9,12-13,19H,4-7,10-11H2,1-3H3,(H,17,20)
InChIKeyVCYHLXKQQGAQIR-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.28
Rot. Bonds9

About N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide

N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide (PubChem CID 106166604) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
PubChem CID106166604
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC(C)(CC)CCO)n1ccnc1
InChIInChI=1S/C15H27N3O2/c1-4-6-13(18-9-8-16-12-18)11-14(20)17-15(3,5-2)7-10-19/h8-9,12-13,19H,4-7,10-11H2,1-3H3,(H,17,20)
InChIKeyVCYHLXKQQGAQIR-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
N-(1-hydroxy-3-methylpentan-3-yl)imidazole-1-carboxamide
CID 106178294
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-imidazol-1-ylhexan-1-one
CID 43416278
N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide
CID 106297299
3-imidazol-1-yl-N-(1H-imidazol-2-yl)hexanamide
CID 63563692

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide (CID 106166604) is N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NC(C)(CC)CCO)n1ccnc1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
The InChIKey is VCYHLXKQQGAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-6-13(18-9-8-16-12-18)11-14(20)17-15(3,5-2)7-10-19/h8-9,12-13,19H,4-7,10-11H2,1-3H3,(H,17,20).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide has a molecular weight of 281.40 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 106166604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).