N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide

C18H33NO2 — CID 78385586

IUPACN-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide
SMILESCCCCCCCCCC=CC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)
InChIKeyGJDPGFHVEKFXEZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.13
Rot. Bonds12

About N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide

N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide (PubChem CID 78385586) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide
PubChem CID78385586
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide
SMILESCCCCCCCCCC=CC=CC(=O)NCC(C)(C)O
InChIInChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)
InChIKeyGJDPGFHVEKFXEZ-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide (CID 78385586) is N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide is CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide?
The InChIKey is GJDPGFHVEKFXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide?
N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide has a molecular weight of 295.47 g/mol, XLogP of 4.13, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)tetradeca-2,4-dienamide is sourced from PubChem (CID 78385586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).