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

C14H25NO — CID 87311088

IUPAC(2E,4E)-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-HULFFUFUSA-N
MW223.36 g/mol
LogP3.59
Rot. Bonds6

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

(2E,4E)-N-tert-butyldeca-2,4-dienamide (PubChem CID 87311088) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E,4E)-N-tert-butyldeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-tert-butyldeca-2,4-dienamide
PubChem CID87311088
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E,4E)-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-HULFFUFUSA-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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-tert-butyldeca-2,4-dienamide?
The IUPAC name of (2E,4E)-N-tert-butyldeca-2,4-dienamide (CID 87311088) is (2E,4E)-N-tert-butyldeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-tert-butyldeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-tert-butyldeca-2,4-dienamide is CCCCC/C=C/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (2E,4E)-N-tert-butyldeca-2,4-dienamide?
The InChIKey is LALIVSZZJHBWFB-HULFFUFUSA-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,4E)-N-tert-butyldeca-2,4-dienamide?
(2E,4E)-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,4E)-N-tert-butyldeca-2,4-dienamide is sourced from PubChem (CID 87311088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).