(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C16H21NO — CID 146639818

IUPAC(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C\C(=C/C)CNC(=O)C(/C=C\C)=C/C=C
InChIInChI=1S/C16H21NO/c1-5-9-12-14(8-4)13-17-16(18)15(10-6-2)11-7-3/h5-12H,1-2,13H2,3-4H3,(H,17,18)/b11-7-,12-9-,14-8+,15-10+
InChIKeyWMPAGOLOMZEPKG-OUOXDEABSA-N
MW243.35 g/mol
LogP3.48
Rot. Bonds7

About (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 146639818) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID146639818
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C\C(=C/C)CNC(=O)C(/C=C\C)=C/C=C
InChIInChI=1S/C16H21NO/c1-5-9-12-14(8-4)13-17-16(18)15(10-6-2)11-7-3/h5-12H,1-2,13H2,3-4H3,(H,17,18)/b11-7-,12-9-,14-8+,15-10+
InChIKeyWMPAGOLOMZEPKG-OUOXDEABSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
(2E,3Z)-N-methyl-2-prop-2-enylidenehexa-3,5-dienamide
CID 130205003
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
(2E)-N-ethyl-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 129043675
(2E)-N-[(2E,4E,6Z)-3-hydroxyocta-2,4,6-trien-4-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 145162812
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
(2E,4Z)-N-[(2E)-2-ethenylpenta-2,4-dienyl]hepta-2,4,6-trien-3-amine
CID 144567839
N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
ethane;(4Z,5Z)-4-ethylidene-2-oxoocta-5,7-dienoic acid
CID 143265968
1-[[(2Z,4E,5Z)-4-ethylideneocta-2,5,7-trien-3-yl]amino]propan-2-one
CID 142835639

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 146639818) is (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C\C(=C/C)CNC(=O)C(/C=C\C)=C/C=C.
What is the InChIKey of (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is WMPAGOLOMZEPKG-OUOXDEABSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-9-12-14(8-4)13-17-16(18)15(10-6-2)11-7-3/h5-12H,1-2,13H2,3-4H3,(H,17,18)/b11-7-,12-9-,14-8+,15-10+.
What are the key properties of (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 243.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 146639818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).