(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide

C16H23NO2 — CID 101153415

IUPAC(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
SMILESCC(C)CNC(=O)/C=C/C=C/CC/C=C/C=C/C=O
InChIInChI=1S/C16H23NO2/c1-15(2)14-17-16(19)12-10-8-6-4-3-5-7-9-11-13-18/h5-13,15H,3-4,14H2,1-2H3,(H,17,19)/b7-5+,8-6+,11-9+,12-10+
InChIKeyLOKIZXMMTFRUNU-HCNIIHBUSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds9

About (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide

(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide (PubChem CID 101153415) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide.

Molecular Properties

Compound Name(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
PubChem CID101153415
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
SMILESCC(C)CNC(=O)/C=C/C=C/CC/C=C/C=C/C=O
InChIInChI=1S/C16H23NO2/c1-15(2)14-17-16(19)12-10-8-6-4-3-5-7-9-11-13-18/h5-13,15H,3-4,14H2,1-2H3,(H,17,19)/b7-5+,8-6+,11-9+,12-10+
InChIKeyLOKIZXMMTFRUNU-HCNIIHBUSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
The IUPAC name of (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide (CID 101153415) is (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide.
What is the SMILES notation for (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
The canonical SMILES for (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide is CC(C)CNC(=O)/C=C/C=C/CC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
The InChIKey is LOKIZXMMTFRUNU-HCNIIHBUSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)14-17-16(19)12-10-8-6-4-3-5-7-9-11-13-18/h5-13,15H,3-4,14H2,1-2H3,(H,17,19)/b7-5+,8-6+,11-9+,12-10+.
What are the key properties of (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide has a molecular weight of 261.37 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide is sourced from PubChem (CID 101153415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).