(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide

C14H25NO2 — CID 139304684

IUPAC(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide
SMILESC/C(=C\CCC(C)CC(=O)NO)CC1CCC1
InChIInChI=1S/C14H25NO2/c1-11(9-13-7-4-8-13)5-3-6-12(2)10-14(16)15-17/h5,12-13,17H,3-4,6-10H2,1-2H3,(H,15,16)/b11-5+
InChIKeyALWUHXIJYQXORE-VZUCSPMQSA-N
MW239.36 g/mol
LogP3.43
Rot. Bonds7

About (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide

(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide (PubChem CID 139304684) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide.

Molecular Properties

Compound Name(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide
PubChem CID139304684
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide
SMILESC/C(=C\CCC(C)CC(=O)NO)CC1CCC1
InChIInChI=1S/C14H25NO2/c1-11(9-13-7-4-8-13)5-3-6-12(2)10-14(16)15-17/h5,12-13,17H,3-4,6-10H2,1-2H3,(H,15,16)/b11-5+
InChIKeyALWUHXIJYQXORE-VZUCSPMQSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopentyl-N-hydroxy-3-methylbutanamide
CID 138641176
5-cyclobutyl-N-ethyl-4-methylpent-3-en-1-amine
CID 79598587
N-ethyl-3,7-dimethyloct-6-enamide
CID 91172474
[(E)-2-methylbut-2-enyl]cyclobutane
CID 57072568
4-methyl-5-(oxan-4-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79599390
2-[[(6E,10E)-3,7,11,15-tetramethylhexadeca-6,10,14-trienoyl]amino]acetic acid
CID 21298048
1-cyclobutyl-3-methoxybutan-2-one
CID 79616644
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cycloheptylacetate
CID 149399642
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] 2-cyclohexylacetate
CID 148829427
(Z)-3,7-dimethyl-8-(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)oct-6-enoic acid
CID 74627731
methyl (5E,9E)-11-cyclohexyl-6,10-dimethyl-2-methylideneundeca-5,9-dienoate
CID 155213089
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911

Frequently Asked Questions

What is the IUPAC name of (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide?
The IUPAC name of (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide (CID 139304684) is (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide.
What is the SMILES notation for (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide?
The canonical SMILES for (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide is C/C(=C\CCC(C)CC(=O)NO)CC1CCC1.
What is the InChIKey of (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide?
The InChIKey is ALWUHXIJYQXORE-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(9-13-7-4-8-13)5-3-6-12(2)10-14(16)15-17/h5,12-13,17H,3-4,6-10H2,1-2H3,(H,15,16)/b11-5+.
What are the key properties of (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide?
(E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide has a molecular weight of 239.36 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-cyclobutyl-N-hydroxy-3,7-dimethyloct-6-enamide is sourced from PubChem (CID 139304684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).