(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide

C16H27NO2 — CID 44556043

IUPAC(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide
SMILESCCCCCCC(=O)/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-10-15(18)11-8-9-12-16(19)17-13-14(2)3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,17,19)/b11-8+,12-9+
InChIKeyJIKPWWMXOYITHF-HZOWPXDZSA-N
MW265.40 g/mol
LogP3.41
Rot. Bonds10

About (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide (PubChem CID 44556043) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide
PubChem CID44556043
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide
SMILESCCCCCCC(=O)/C=C/C=C/C(=O)NCC(C)C
InChIInChI=1S/C16H27NO2/c1-4-5-6-7-10-15(18)11-8-9-12-16(19)17-13-14(2)3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,17,19)/b11-8+,12-9+
InChIKeyJIKPWWMXOYITHF-HZOWPXDZSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.41
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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Related Compounds

CID 6443006
CID 6443006
CID 9974234
CID 9974234
CID 10731388
CID 10731388
CID 10338645
CID 10338645
CID 73355665
CID 73355665
CID 14188011
CID 14188011
CID 5318939
CID 5318939
CID 5318940
CID 5318940
CID 6441067
CID 6441067
CID 101713141
CID 101713141
CID 25221579
CID 25221579
CID 11075468
CID 11075468

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide (CID 44556043) is (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide is CCCCCCC(=O)/C=C/C=C/C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide?
The InChIKey is JIKPWWMXOYITHF-HZOWPXDZSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-7-10-15(18)11-8-9-12-16(19)17-13-14(2)3/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,17,19)/b11-8+,12-9+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide has a molecular weight of 265.40 g/mol, XLogP of 3.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-6-oxododeca-2,4-dienamide is sourced from PubChem (CID 44556043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).