(2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide

C14H20N2O2 — CID 134860257

IUPAC(2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)NC(C)NC(=O)/C=C\C=C\C
InChIInChI=1S/C14H20N2O2/c1-4-6-8-10-13(17)15-12(3)16-14(18)11-9-7-5-2/h4-12H,1-3H3,(H,15,17)(H,16,18)/b6-4+,7-5+,10-8-,11-9-
InChIKeyKUDJCBZAFGOHJT-KWUQKGJSSA-N
MW248.33 g/mol
LogP1.83
Rot. Bonds6

About (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide

(2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide (PubChem CID 134860257) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide
PubChem CID134860257
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide
SMILESC/C=C/C=C\C(=O)NC(C)NC(=O)/C=C\C=C\C
InChIInChI=1S/C14H20N2O2/c1-4-6-8-10-13(17)15-12(3)16-14(18)11-9-7-5-2/h4-12H,1-3H3,(H,15,17)(H,16,18)/b6-4+,7-5+,10-8-,11-9-
InChIKeyKUDJCBZAFGOHJT-KWUQKGJSSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide?
The IUPAC name of (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide (CID 134860257) is (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide?
The canonical SMILES for (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide is C/C=C/C=C\C(=O)NC(C)NC(=O)/C=C\C=C\C.
What is the InChIKey of (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide?
The InChIKey is KUDJCBZAFGOHJT-KWUQKGJSSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-6-8-10-13(17)15-12(3)16-14(18)11-9-7-5-2/h4-12H,1-3H3,(H,15,17)(H,16,18)/b6-4+,7-5+,10-8-,11-9-.
What are the key properties of (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide?
(2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide has a molecular weight of 248.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-[1-[[(2Z,4E)-hexa-2,4-dienoyl]amino]ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 134860257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).