N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide

C12H19NO — CID 167457562

IUPACN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)CCC
InChIInChI=1S/C12H19NO/c1-4-7-9-11(6-3)10-13-12(14)8-5-2/h4,6-7,9H,1,5,8,10H2,2-3H3,(H,13,14)/b9-7-,11-6+
InChIKeyZMHIUCHEWBSQAJ-IBDCXDMFSA-N
MW193.29 g/mol
LogP2.59
Rot. Bonds6

About N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide (PubChem CID 167457562) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
PubChem CID167457562
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)CCC
InChIInChI=1S/C12H19NO/c1-4-7-9-11(6-3)10-13-12(14)8-5-2/h4,6-7,9H,1,5,8,10H2,2-3H3,(H,13,14)/b9-7-,11-6+
InChIKeyZMHIUCHEWBSQAJ-IBDCXDMFSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 146639818
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
2-[amino-[(2E,3E)-3-amino-2-prop-2-enylidenehexa-3,5-dienoyl]amino]-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]acetamide;ethane
CID 145087367
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-5-ethylhepta-1,3,5-triene;methane
CID 143680457
(4Z,5Z)-4-ethylideneocta-5,7-dien-1-ol
CID 89317251
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
N-but-3-enylbutanamide
CID 54459050
zinc bis(2-(butanoylamino)acetate)
CID 157281731
N-ethylbutanamide;methanimine
CID 142280316

Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide?
The IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide (CID 167457562) is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide?
The canonical SMILES for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide is C=C/C=C\C(=C/C)CNC(=O)CCC.
What is the InChIKey of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide?
The InChIKey is ZMHIUCHEWBSQAJ-IBDCXDMFSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-7-9-11(6-3)10-13-12(14)8-5-2/h4,6-7,9H,1,5,8,10H2,2-3H3,(H,13,14)/b9-7-,11-6+.
What are the key properties of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide?
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide has a molecular weight of 193.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide is sourced from PubChem (CID 167457562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).