8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide

C17H29NO2 — CID 54487794

IUPAC8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide
SMILESCC(C)=CCCC(=CCCC(C)=CCO)C(=O)N(C)C
InChIInChI=1S/C17H29NO2/c1-14(2)8-6-10-16(17(20)18(4)5)11-7-9-15(3)12-13-19/h8,11-12,19H,6-7,9-10,13H2,1-5H3
InChIKeyXTOPFLCVYMRSEC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.47
Rot. Bonds8

About 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide

8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide (PubChem CID 54487794) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide.

Molecular Properties

Compound Name8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide
PubChem CID54487794
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide
SMILESCC(C)=CCCC(=CCCC(C)=CCO)C(=O)N(C)C
InChIInChI=1S/C17H29NO2/c1-14(2)8-6-10-16(17(20)18(4)5)11-7-9-15(3)12-13-19/h8,11-12,19H,6-7,9-10,13H2,1-5H3
InChIKeyXTOPFLCVYMRSEC-UHFFFAOYSA-N
XLogP3.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide?
The IUPAC name of 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide (CID 54487794) is 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide.
What is the SMILES notation for 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide?
The canonical SMILES for 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide is CC(C)=CCCC(=CCCC(C)=CCO)C(=O)N(C)C.
What is the InChIKey of 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide?
The InChIKey is XTOPFLCVYMRSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)8-6-10-16(17(20)18(4)5)11-7-9-15(3)12-13-19/h8,11-12,19H,6-7,9-10,13H2,1-5H3.
What are the key properties of 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide?
8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide has a molecular weight of 279.42 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N,N,6-trimethyl-2-(4-methylpent-3-enyl)octa-2,6-dienamide is sourced from PubChem (CID 54487794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).