(2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide

C28H36N2O2 — CID 14347392

IUPAC(2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1
InChIInChI=1S/C28H36N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h7-8,11,14-22,24H,3-6,9-10,12-13H2,1-2H3,(H,30,31)/b15-7+,27-14+/t22-/m1/s1
InChIKeyZDHBRXKWSOVSKM-HUVLGCKISA-N
MW432.61 g/mol
LogP6.14
Rot. Bonds10

About (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide

(2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (PubChem CID 14347392) has the molecular formula C28H36N2O2 and a molecular weight of 432.61 g/mol. Its IUPAC name is (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
PubChem CID14347392
Molecular FormulaC28H36N2O2
Molecular Weight432.61 g/mol
Exact Mass432.28
IUPAC Name(2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1
InChIInChI=1S/C28H36N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h7-8,11,14-22,24H,3-6,9-10,12-13H2,1-2H3,(H,30,31)/b15-7+,27-14+/t22-/m1/s1
InChIKeyZDHBRXKWSOVSKM-HUVLGCKISA-N
XLogP6.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.14
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,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The IUPAC name of (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (CID 14347392) is (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is COc1ccc(/C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)C2CCCCC2)cc1.
What is the InChIKey of (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The InChIKey is ZDHBRXKWSOVSKM-HUVLGCKISA-N. The full InChI is InChI=1S/C28H36N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h7-8,11,14-22,24H,3-6,9-10,12-13H2,1-2H3,(H,30,31)/b15-7+,27-14+/t22-/m1/s1.
What are the key properties of (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
(2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide has a molecular weight of 432.61 g/mol, XLogP of 6.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-cyclohexyl-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 14347392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).