N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide

C15H27N3O2 — CID 106179981

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC(C)(C)C(C)(C)O)n1ccnc1
InChIInChI=1S/C15H27N3O2/c1-6-7-12(18-9-8-16-11-18)10-13(19)17-14(2,3)15(4,5)20/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyWBRKBBWXFUSNPL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.28
Rot. Bonds7

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide (PubChem CID 106179981) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
PubChem CID106179981
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC(C)(C)C(C)(C)O)n1ccnc1
InChIInChI=1S/C15H27N3O2/c1-6-7-12(18-9-8-16-11-18)10-13(19)17-14(2,3)15(4,5)20/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyWBRKBBWXFUSNPL-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
3-imidazol-1-yl-N-(1H-imidazol-2-yl)hexanamide
CID 63563692
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393971
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
3-imidazol-1-yl-N-(1H-pyrazol-4-yl)hexanamide
CID 43430739

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide (CID 106179981) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NC(C)(C)C(C)(C)O)n1ccnc1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide?
The InChIKey is WBRKBBWXFUSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-7-12(18-9-8-16-11-18)10-13(19)17-14(2,3)15(4,5)20/h8-9,11-12,20H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide has a molecular weight of 281.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 106179981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).