N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide

C16H30N2O3 — CID 123276894

IUPACN-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide
SMILESCC(=O)NC(C)CCC(C)NC(=O)C=CCCCCCO
InChIInChI=1S/C16H30N2O3/c1-13(17-15(3)20)10-11-14(2)18-16(21)9-7-5-4-6-8-12-19/h7,9,13-14,19H,4-6,8,10-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFINMYJDBEOJNTH-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.90
Rot. Bonds11

About N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide

N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide (PubChem CID 123276894) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide.

Molecular Properties

Compound NameN-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide
PubChem CID123276894
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide
SMILESCC(=O)NC(C)CCC(C)NC(=O)C=CCCCCCO
InChIInChI=1S/C16H30N2O3/c1-13(17-15(3)20)10-11-14(2)18-16(21)9-7-5-4-6-8-12-19/h7,9,13-14,19H,4-6,8,10-12H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyFINMYJDBEOJNTH-UHFFFAOYSA-N
XLogP1.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide?
The IUPAC name of N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide (CID 123276894) is N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide.
What is the SMILES notation for N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide?
The canonical SMILES for N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide is CC(=O)NC(C)CCC(C)NC(=O)C=CCCCCCO.
What is the InChIKey of N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide?
The InChIKey is FINMYJDBEOJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(17-15(3)20)10-11-14(2)18-16(21)9-7-5-4-6-8-12-19/h7,9,13-14,19H,4-6,8,10-12H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide?
N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide has a molecular weight of 298.43 g/mol, XLogP of 1.90, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamidohexan-2-yl)-8-hydroxyoct-2-enamide is sourced from PubChem (CID 123276894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).