(2E,4Z)-N-tert-butyldeca-2,4-dienamide

C14H25NO — CID 87311123

IUPAC(2E,4Z)-N-tert-butyldeca-2,4-dienamide
SMILESCCCCC/C=C\C=C\C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO/c1-5-6-7-8-9-10-11-12-13(16)15-14(2,3)4/h9-12H,5-8H2,1-4H3,(H,15,16)/b10-9-,12-11+
InChIKeyLALIVSZZJHBWFB-XAZJVICWSA-N
MW223.36 g/mol
LogP3.59
Rot. Bonds6

About (2E,4Z)-N-tert-butyldeca-2,4-dienamide

(2E,4Z)-N-tert-butyldeca-2,4-dienamide (PubChem CID 87311123) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,4Z)-N-tert-butyldeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-tert-butyldeca-2,4-dienamide
PubChem CID87311123
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E,4Z)-N-tert-butyldeca-2,4-dienamide
SMILESCCCCC/C=C\C=C\C(=O)NC(C)(C)C
InChIInChI=1S/C14H25NO/c1-5-6-7-8-9-10-11-12-13(16)15-14(2,3)4/h9-12H,5-8H2,1-4H3,(H,15,16)/b10-9-,12-11+
InChIKeyLALIVSZZJHBWFB-XAZJVICWSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.59
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

(2E,4Z)-N-methyldeca-2,4-dienamide
CID 87311130
N-methylhexadeca-2,4-dienamide
CID 123429480
N-methyltetradeca-2,4-dienamide
CID 123476396
(2Z,4E)-deca-2,4-dienoic acid
CID 5282780
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(2E,4E,10E)-N-(2-methylpropyl)hexadeca-2,4,10-trienamide
CID 91697623
(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,4Z)-deca-2,4-dienamide
CID 87184515
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-tert-butyldeca-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-tert-butyldeca-2,4-dienamide (CID 87311123) is (2E,4Z)-N-tert-butyldeca-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-tert-butyldeca-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-tert-butyldeca-2,4-dienamide is CCCCC/C=C\C=C\C(=O)NC(C)(C)C.
What is the InChIKey of (2E,4Z)-N-tert-butyldeca-2,4-dienamide?
The InChIKey is LALIVSZZJHBWFB-XAZJVICWSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-8-9-10-11-12-13(16)15-14(2,3)4/h9-12H,5-8H2,1-4H3,(H,15,16)/b10-9-,12-11+.
What are the key properties of (2E,4Z)-N-tert-butyldeca-2,4-dienamide?
(2E,4Z)-N-tert-butyldeca-2,4-dienamide has a molecular weight of 223.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-tert-butyldeca-2,4-dienamide is sourced from PubChem (CID 87311123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).