N-(8-hydroxy-7-methylnon-4-enyl)butanamide

C14H27NO2 — CID 90893814

IUPACN-(8-hydroxy-7-methylnon-4-enyl)butanamide
SMILESCCCC(=O)NCCCC=CCC(C)C(C)O
InChIInChI=1S/C14H27NO2/c1-4-9-14(17)15-11-8-6-5-7-10-12(2)13(3)16/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,15,17)
InChIKeyAFKMDPZYISTYBN-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.65
Rot. Bonds9

About N-(8-hydroxy-7-methylnon-4-enyl)butanamide

N-(8-hydroxy-7-methylnon-4-enyl)butanamide (PubChem CID 90893814) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(8-hydroxy-7-methylnon-4-enyl)butanamide.

Molecular Properties

Compound NameN-(8-hydroxy-7-methylnon-4-enyl)butanamide
PubChem CID90893814
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(8-hydroxy-7-methylnon-4-enyl)butanamide
SMILESCCCC(=O)NCCCC=CCC(C)C(C)O
InChIInChI=1S/C14H27NO2/c1-4-9-14(17)15-11-8-6-5-7-10-12(2)13(3)16/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,15,17)
InChIKeyAFKMDPZYISTYBN-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-enecarboxamide
CID 71796915
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(4-hydroxybutyl)docosa-4,7,10,13,16,19-hexaenamide
CID 90008891
6-hydroxy-N-propyloct-3-enamide
CID 58183383
N-(3-hydroxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
CID 81649464
(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 88887571
N-[(E,7R,8S)-8-hydroxy-7-methylnon-3-enyl]acetamide
CID 88887575
N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 90783309
[3-Methyl-9-(propanoylamino)non-5-en-2-yl] acetate
CID 90796320
N-(8-hydroxy-7-methylnon-3-enyl)acetamide
CID 90930612
2-hydroxy-3-methyl-N-(6-methylhept-2-en-4-yl)butanamide
CID 90950606
N-(11-hydroxy-10-methyldodec-7-enyl)acetamide
CID 91355114
8-hydroxy-7-methyl-N-propylnon-4-enamide
CID 91382711

Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxy-7-methylnon-4-enyl)butanamide?
The IUPAC name of N-(8-hydroxy-7-methylnon-4-enyl)butanamide (CID 90893814) is N-(8-hydroxy-7-methylnon-4-enyl)butanamide.
What is the SMILES notation for N-(8-hydroxy-7-methylnon-4-enyl)butanamide?
The canonical SMILES for N-(8-hydroxy-7-methylnon-4-enyl)butanamide is CCCC(=O)NCCCC=CCC(C)C(C)O.
What is the InChIKey of N-(8-hydroxy-7-methylnon-4-enyl)butanamide?
The InChIKey is AFKMDPZYISTYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-14(17)15-11-8-6-5-7-10-12(2)13(3)16/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,15,17).
What are the key properties of N-(8-hydroxy-7-methylnon-4-enyl)butanamide?
N-(8-hydroxy-7-methylnon-4-enyl)butanamide has a molecular weight of 241.37 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxy-7-methylnon-4-enyl)butanamide is sourced from PubChem (CID 90893814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).