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

C16H27NO2 — CID 88991034

IUPAC(2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1CCCOC1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-8-14(2)11-16(18)17-12-15-9-7-10-19-13-15/h6,8,11,15H,3-5,7,9-10,12-13H2,1-2H3,(H,17,18)/b8-6+,14-11+
InChIKeyZRUFKUFKFXRCMQ-SIGMCMEVSA-N
MW265.40 g/mol
LogP3.22
Rot. Bonds7

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

(2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide (PubChem CID 88991034) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide
PubChem CID88991034
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide
SMILESCCCC/C=C/C(C)=C/C(=O)NCC1CCCOC1
InChIInChI=1S/C16H27NO2/c1-3-4-5-6-8-14(2)11-16(18)17-12-15-9-7-10-19-13-15/h6,8,11,15H,3-5,7,9-10,12-13H2,1-2H3,(H,17,18)/b8-6+,14-11+
InChIKeyZRUFKUFKFXRCMQ-SIGMCMEVSA-N
XLogP3.22
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 ≤ 53.22
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-3-ylmethyl)nona-2,4-dienamide?
The IUPAC name of (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide (CID 88991034) is (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide.
What is the SMILES notation for (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide?
The canonical SMILES for (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide is CCCC/C=C/C(C)=C/C(=O)NCC1CCCOC1.
What is the InChIKey of (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide?
The InChIKey is ZRUFKUFKFXRCMQ-SIGMCMEVSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-5-6-8-14(2)11-16(18)17-12-15-9-7-10-19-13-15/h6,8,11,15H,3-5,7,9-10,12-13H2,1-2H3,(H,17,18)/b8-6+,14-11+.
What are the key properties of (2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide?
(2E,4E)-3-methyl-N-(oxan-3-ylmethyl)nona-2,4-dienamide has a molecular weight of 265.40 g/mol, XLogP of 3.22, 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-3-ylmethyl)nona-2,4-dienamide is sourced from PubChem (CID 88991034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).