(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

C28H30N2O3 — CID 14347369

IUPAC(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
SMILESCOc1ccccc1C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1OC
InChIInChI=1S/C28H30N2O3/c1-32-26-16-5-3-13-24(26)23(25-14-4-6-17-27(25)33-2)15-9-18-28(31)30-20-8-7-11-22-12-10-19-29-21-22/h3-6,9-10,12-19,21H,7-8,11,20H2,1-2H3,(H,30,31)/b18-9+
InChIKeyCPGHLTGASAARCO-GIJQJNRQSA-N
MW442.56 g/mol
LogP5.23
Rot. Bonds11

About (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide

(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide (PubChem CID 14347369) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
PubChem CID14347369
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
SMILESCOc1ccccc1C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1OC
InChIInChI=1S/C28H30N2O3/c1-32-26-16-5-3-13-24(26)23(25-14-4-6-17-27(25)33-2)15-9-18-28(31)30-20-8-7-11-22-12-10-19-29-21-22/h3-6,9-10,12-19,21H,7-8,11,20H2,1-2H3,(H,30,31)/b18-9+
InChIKeyCPGHLTGASAARCO-GIJQJNRQSA-N
XLogP5.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide (CID 14347369) is (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide is COc1ccccc1C(=C/C=C/C(=O)NCCCCc1cccnc1)c1ccccc1OC.
What is the InChIKey of (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
The InChIKey is CPGHLTGASAARCO-GIJQJNRQSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-32-26-16-5-3-13-24(26)23(25-14-4-6-17-27(25)33-2)15-9-18-28(31)30-20-8-7-11-22-12-10-19-29-21-22/h3-6,9-10,12-19,21H,7-8,11,20H2,1-2H3,(H,30,31)/b18-9+.
What are the key properties of (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide?
(2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide has a molecular weight of 442.56 g/mol, XLogP of 5.23, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(2-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide is sourced from PubChem (CID 14347369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).