N-methylhexadeca-2,4-dienamide

C17H31NO — CID 123429480

IUPACN-methylhexadeca-2,4-dienamide
SMILESCCCCCCCCCCCC=CC=CC(=O)NC
InChIInChI=1S/C17H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18-2/h13-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyMDMFJMBHVHUYOU-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.77
Rot. Bonds12

About N-methylhexadeca-2,4-dienamide

N-methylhexadeca-2,4-dienamide (PubChem CID 123429480) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methylhexadeca-2,4-dienamide.

Molecular Properties

Compound NameN-methylhexadeca-2,4-dienamide
PubChem CID123429480
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-methylhexadeca-2,4-dienamide
SMILESCCCCCCCCCCCC=CC=CC(=O)NC
InChIInChI=1S/C17H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18-2/h13-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyMDMFJMBHVHUYOU-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-methyltetradeca-2,4-dienamide
CID 123476396
(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
(2E,4E)-N-(2-methylpropyl)tetradeca-2,4-dienamide
CID 10731388
(2E,4E)-N-(2-hydroxyethyl)icosa-2,4-dienamide
CID 21158622
pentadeca-2,4-dienoic acid
CID 54493784
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665
tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
triaconta-2,4-dienoic acid
CID 54201076
pentadeca-3,5,7-trien-2-one
CID 91106763

Frequently Asked Questions

What is the IUPAC name of N-methylhexadeca-2,4-dienamide?
The IUPAC name of N-methylhexadeca-2,4-dienamide (CID 123429480) is N-methylhexadeca-2,4-dienamide.
What is the SMILES notation for N-methylhexadeca-2,4-dienamide?
The canonical SMILES for N-methylhexadeca-2,4-dienamide is CCCCCCCCCCCC=CC=CC(=O)NC.
What is the InChIKey of N-methylhexadeca-2,4-dienamide?
The InChIKey is MDMFJMBHVHUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18-2/h13-16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of N-methylhexadeca-2,4-dienamide?
N-methylhexadeca-2,4-dienamide has a molecular weight of 265.44 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhexadeca-2,4-dienamide is sourced from PubChem (CID 123429480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).