(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide

C16H22N2O2 — CID 142723117

IUPAC(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide
SMILESC=C/C=C/C(=O)N(C(=O)/C=C/C=C)C1CCCC(N)C1
InChIInChI=1S/C16H22N2O2/c1-3-5-10-15(19)18(16(20)11-6-4-2)14-9-7-8-13(17)12-14/h3-6,10-11,13-14H,1-2,7-9,12,17H2/b10-5+,11-6+
InChIKeyFCXASSSWZDWOOE-YOYBCKCWSA-N
MW274.36 g/mol
LogP2.10
Rot. Bonds5

About (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide

(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide (PubChem CID 142723117) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide
PubChem CID142723117
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide
SMILESC=C/C=C/C(=O)N(C(=O)/C=C/C=C)C1CCCC(N)C1
InChIInChI=1S/C16H22N2O2/c1-3-5-10-15(19)18(16(20)11-6-4-2)14-9-7-8-13(17)12-14/h3-6,10-11,13-14H,1-2,7-9,12,17H2/b10-5+,11-6+
InChIKeyFCXASSSWZDWOOE-YOYBCKCWSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide (CID 142723117) is (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide is C=C/C=C/C(=O)N(C(=O)/C=C/C=C)C1CCCC(N)C1.
What is the InChIKey of (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide?
The InChIKey is FCXASSSWZDWOOE-YOYBCKCWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-5-10-15(19)18(16(20)11-6-4-2)14-9-7-8-13(17)12-14/h3-6,10-11,13-14H,1-2,7-9,12,17H2/b10-5+,11-6+.
What are the key properties of (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide?
(2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide has a molecular weight of 274.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(3-aminocyclohexyl)-N-[(2E)-penta-2,4-dienoyl]penta-2,4-dienamide is sourced from PubChem (CID 142723117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).