ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

C21H36N2O2 — CID 143364801

IUPACethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESC=C(/C=C\C)OC(=C)/C=C(\C)N(CCN1CCCCC1)C(C)=O.CC
InChIInChI=1S/C19H30N2O2.C2H6/c1-6-10-17(3)23-18(4)15-16(2)21(19(5)22)14-13-20-11-8-7-9-12-20;1-2/h6,10,15H,3-4,7-9,11-14H2,1-2,5H3;1-2H3/b10-6-,16-15+;
InChIKeyNYUKNPVKIYHGBP-XPMVKVLASA-N
MW348.53 g/mol
LogP4.87
Rot. Bonds8

About ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide

ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 143364801) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Nameethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID143364801
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Nameethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESC=C(/C=C\C)OC(=C)/C=C(\C)N(CCN1CCCCC1)C(C)=O.CC
InChIInChI=1S/C19H30N2O2.C2H6/c1-6-10-17(3)23-18(4)15-16(2)21(19(5)22)14-13-20-11-8-7-9-12-20;1-2/h6,10,15H,3-4,7-9,11-14H2,1-2,5H3;1-2H3/b10-6-,16-15+;
InChIKeyNYUKNPVKIYHGBP-XPMVKVLASA-N
XLogP4.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide with MolForge

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Related Compounds

1-[4-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123284533
1-[4-(4-Methoxypenta-2,4-dien-2-yl)piperazin-1-yl]ethanone
CID 123409071
N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 143364802

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 143364801) is ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide is C=C(/C=C\C)OC(=C)/C=C(\C)N(CCN1CCCCC1)C(C)=O.CC.
What is the InChIKey of ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is NYUKNPVKIYHGBP-XPMVKVLASA-N. The full InChI is InChI=1S/C19H30N2O2.C2H6/c1-6-10-17(3)23-18(4)15-16(2)21(19(5)22)14-13-20-11-8-7-9-12-20;1-2/h6,10,15H,3-4,7-9,11-14H2,1-2,5H3;1-2H3/b10-6-,16-15+;.
What are the key properties of ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide?
ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 348.53 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-4-[(3Z)-penta-1,3-dien-2-yl]oxypenta-2,4-dien-2-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 143364801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).