(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide

C16H27NO2 — CID 88991033

IUPAC(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1CCCCO1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-9-14(2)12-16(18)17-13-15-10-7-8-11-19-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,17,18)/b9-6+,14-12+
InChIKeyVOOGTXIUZNWIHQ-TZOAMJEDSA-N
MW265.40 g/mol
LogP3.36
Rot. Bonds7

About (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide

(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide (PubChem CID 88991033) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
PubChem CID88991033
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1CCCCO1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-9-14(2)12-16(18)17-13-15-10-7-8-11-19-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,17,18)/b9-6+,14-12+
InChIKeyVOOGTXIUZNWIHQ-TZOAMJEDSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
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 (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide (CID 88991033) is (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C(C)=C/C(=O)NCC1CCCCO1.
What is the InChIKey of (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
The InChIKey is VOOGTXIUZNWIHQ-TZOAMJEDSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-5-6-9-14(2)12-16(18)17-13-15-10-7-8-11-19-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,17,18)/b9-6+,14-12+.
What are the key properties of (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide?
(2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide has a molecular weight of 265.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-N-(oxan-2-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 88991033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).