N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide

C15H27N3O2 — CID 106352921

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC(CCO)C(C)C)n1ccnc1
InChIInChI=1S/C15H27N3O2/c1-4-5-13(18-8-7-16-11-18)10-15(20)17-14(6-9-19)12(2)3/h7-8,11-14,19H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeySUXSUVZTFBLDHX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.14
Rot. Bonds9

About N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide

N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide (PubChem CID 106352921) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
PubChem CID106352921
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NC(CCO)C(C)C)n1ccnc1
InChIInChI=1S/C15H27N3O2/c1-4-5-13(18-8-7-16-11-18)10-15(20)17-14(6-9-19)12(2)3/h7-8,11-14,19H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKeySUXSUVZTFBLDHX-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
N-(1-hydroxy-3-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106166604
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
1-hexan-3-ylimidazole
CID 54145075
N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide
CID 106297299
3-imidazol-1-yl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393971

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide (CID 106352921) is N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NC(CCO)C(C)C)n1ccnc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
The InChIKey is SUXSUVZTFBLDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-5-13(18-8-7-16-11-18)10-15(20)17-14(6-9-19)12(2)3/h7-8,11-14,19H,4-6,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide?
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide has a molecular weight of 281.40 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 106352921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).