2-hexyl-N-hydroxy-N-methyldecanamide

C17H35NO2 — CID 19818894

IUPAC2-hexyl-N-hydroxy-N-methyldecanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)N(C)O
InChIInChI=1S/C17H35NO2/c1-4-6-8-10-11-13-15-16(17(19)18(3)20)14-12-9-7-5-2/h16,20H,4-15H2,1-3H3
InChIKeyYSUKIBRDKUVKST-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.17
Rot. Bonds13

About 2-hexyl-N-hydroxy-N-methyldecanamide

2-hexyl-N-hydroxy-N-methyldecanamide (PubChem CID 19818894) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-hexyl-N-hydroxy-N-methyldecanamide.

Molecular Properties

Compound Name2-hexyl-N-hydroxy-N-methyldecanamide
PubChem CID19818894
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-hexyl-N-hydroxy-N-methyldecanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)N(C)O
InChIInChI=1S/C17H35NO2/c1-4-6-8-10-11-13-15-16(17(19)18(3)20)14-12-9-7-5-2/h16,20H,4-15H2,1-3H3
InChIKeyYSUKIBRDKUVKST-UHFFFAOYSA-N
XLogP5.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-N-hydroxy-N-methyldecanamide?
The IUPAC name of 2-hexyl-N-hydroxy-N-methyldecanamide (CID 19818894) is 2-hexyl-N-hydroxy-N-methyldecanamide.
What is the SMILES notation for 2-hexyl-N-hydroxy-N-methyldecanamide?
The canonical SMILES for 2-hexyl-N-hydroxy-N-methyldecanamide is CCCCCCCCC(CCCCCC)C(=O)N(C)O.
What is the InChIKey of 2-hexyl-N-hydroxy-N-methyldecanamide?
The InChIKey is YSUKIBRDKUVKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-6-8-10-11-13-15-16(17(19)18(3)20)14-12-9-7-5-2/h16,20H,4-15H2,1-3H3.
What are the key properties of 2-hexyl-N-hydroxy-N-methyldecanamide?
2-hexyl-N-hydroxy-N-methyldecanamide has a molecular weight of 285.47 g/mol, XLogP of 5.17, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N-hydroxy-N-methyldecanamide is sourced from PubChem (CID 19818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).