N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide

C14H23N3O3 — CID 106102842

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NCC1(O)CCOC1)n1ccnc1
InChIInChI=1S/C14H23N3O3/c1-2-3-12(17-6-5-15-11-17)8-13(18)16-9-14(19)4-7-20-10-14/h5-6,11-12,19H,2-4,7-10H2,1H3,(H,16,18)
InChIKeyYUIJHXCLWDFDOS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.88
Rot. Bonds7

About N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide

N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide (PubChem CID 106102842) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide
PubChem CID106102842
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide
SMILESCCCC(CC(=O)NCC1(O)CCOC1)n1ccnc1
InChIInChI=1S/C14H23N3O3/c1-2-3-12(17-6-5-15-11-17)8-13(18)16-9-14(19)4-7-20-10-14/h5-6,11-12,19H,2-4,7-10H2,1H3,(H,16,18)
InChIKeyYUIJHXCLWDFDOS-UHFFFAOYSA-N
XLogP0.88
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-3-imidazol-1-ylhexanamide
CID 106297299
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
4-(3-imidazol-1-ylhexanoylamino)oxolane-3-carboxylic acid
CID 66223101
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
N-[(3-hydroxyoxolan-3-yl)methyl]-3-propoxypropanamide
CID 106102852
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
(3S)-3-(aminomethyl)-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methylhexanamide
CID 106101380

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide (CID 106102842) is N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide is CCCC(CC(=O)NCC1(O)CCOC1)n1ccnc1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide?
The InChIKey is YUIJHXCLWDFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-12(17-6-5-15-11-17)8-13(18)16-9-14(19)4-7-20-10-14/h5-6,11-12,19H,2-4,7-10H2,1H3,(H,16,18).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide has a molecular weight of 281.36 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide is sourced from PubChem (CID 106102842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).