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

C16H23NO2 — CID 163030837

IUPACN-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
SMILESCC(C)CNC(=O)C=CC=CCCC=CC=CC=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)
InChIKeyLOKIZXMMTFRUNU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds9

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

N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide (PubChem CID 163030837) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
PubChem CID163030837
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide
SMILESCC(C)CNC(=O)C=CC=CCCC=CC=CC=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)
InChIKeyLOKIZXMMTFRUNU-UHFFFAOYSA-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 N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
The IUPAC name of N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide (CID 163030837) is N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide.
What is the SMILES notation for N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
The canonical SMILES for N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide is CC(C)CNC(=O)C=CC=CCCC=CC=CC=O.
What is the InChIKey of N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
The InChIKey is LOKIZXMMTFRUNU-UHFFFAOYSA-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).
What are the key properties of N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide?
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 N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenamide is sourced from PubChem (CID 163030837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).