N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide

C12H20N2O — CID 122663069

IUPACN-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide
SMILESC=C/C=C\C(=C/C)CNCCNC(C)=O
InChIInChI=1S/C12H20N2O/c1-4-6-7-12(5-2)10-13-8-9-14-11(3)15/h4-7,13H,1,8-10H2,2-3H3,(H,14,15)/b7-6-,12-5+
InChIKeyZWMZAZFFXLEDIJ-BZNMCICSSA-N
MW208.30 g/mol
LogP1.40
Rot. Bonds7

About N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide

N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide (PubChem CID 122663069) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide
PubChem CID122663069
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide
SMILESC=C/C=C\C(=C/C)CNCCNC(C)=O
InChIInChI=1S/C12H20N2O/c1-4-6-7-12(5-2)10-13-8-9-14-11(3)15/h4-7,13H,1,8-10H2,2-3H3,(H,14,15)/b7-6-,12-5+
InChIKeyZWMZAZFFXLEDIJ-BZNMCICSSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Dehydro-gamma-sanshool
CID 5316465
(2E)-N-(2-aminoethyl)-3,7-dimethylocta-2,6-dienamide
CID 71525237
(Acetamidomethyl)cyclopentadiene
CID 13311389
N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
CID 88935026
N-[(2E,3E)-4-(aminomethyl)-2-ethylidenehexa-3,5-dienyl]-2,2,2-trifluoroacetamide
CID 142191954
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
CID 143680491
2-amino-N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]acetamide
CID 144160334
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide
CID 154656212
(E,2E)-2-[fluoro(methylsulfanyl)methylidene]-N-[2-(methylamino)ethyl]pent-3-enamide
CID 166868384
N-[2-(fluoroamino)ethyl]cyclooctatetraenecarboxamide
CID 170700899
N-(1-cyclohexa-1,5-dien-1-ylethyl)acetamide
CID 135037979
(E)-N-[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]pent-2-enamide
CID 142385504

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide (CID 122663069) is N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide is C=C/C=C\C(=C/C)CNCCNC(C)=O.
What is the InChIKey of N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide?
The InChIKey is ZWMZAZFFXLEDIJ-BZNMCICSSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-7-12(5-2)10-13-8-9-14-11(3)15/h4-7,13H,1,8-10H2,2-3H3,(H,14,15)/b7-6-,12-5+.
What are the key properties of N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide?
N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]amino]ethyl]acetamide is sourced from PubChem (CID 122663069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).