(2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C19H25NO — CID 88964799

IUPAC(2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NC(=C)C(/C=C/C)=C(\C=C)CC
InChIInChI=1S/C19H25NO/c1-7-12-17(13-8-2)19(21)20-15(6)18(14-9-3)16(10-4)11-5/h7-10,12-14H,1,4,6,11H2,2-3,5H3,(H,20,21)/b13-8-,14-9+,17-12+,18-16+
InChIKeyDQXHKUWZAPLHAM-SDDLHBJQSA-N
MW283.42 g/mol
LogP4.77
Rot. Bonds8

About (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 88964799) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID88964799
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)NC(=C)C(/C=C/C)=C(\C=C)CC
InChIInChI=1S/C19H25NO/c1-7-12-17(13-8-2)19(21)20-15(6)18(14-9-3)16(10-4)11-5/h7-10,12-14H,1,4,6,11H2,2-3,5H3,(H,20,21)/b13-8-,14-9+,17-12+,18-16+
InChIKeyDQXHKUWZAPLHAM-SDDLHBJQSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.77
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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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 88964799) is (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/C)C(=O)NC(=C)C(/C=C/C)=C(\C=C)CC.
What is the InChIKey of (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is DQXHKUWZAPLHAM-SDDLHBJQSA-N. The full InChI is InChI=1S/C19H25NO/c1-7-12-17(13-8-2)19(21)20-15(6)18(14-9-3)16(10-4)11-5/h7-10,12-14H,1,4,6,11H2,2-3,5H3,(H,20,21)/b13-8-,14-9+,17-12+,18-16+.
What are the key properties of (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 283.42 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(3Z)-4-ethyl-3-[(E)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 88964799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).