(2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide

C30H34N2O3 — CID 14347338

IUPAC(2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)NC(C)(C)CCCc2cccnc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H34N2O3/c1-30(2,20-6-8-23-9-7-21-31-22-23)32-29(33)11-5-10-28(24-12-16-26(34-3)17-13-24)25-14-18-27(35-4)19-15-25/h5,7,9-19,21-22H,6,8,20H2,1-4H3,(H,32,33)/b11-5+
InChIKeyHHFFZSZNKNABAB-VZUCSPMQSA-N
MW470.61 g/mol
LogP6.00
Rot. Bonds11

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

(2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide (PubChem CID 14347338) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide
PubChem CID14347338
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name(2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)NC(C)(C)CCCc2cccnc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H34N2O3/c1-30(2,20-6-8-23-9-7-21-31-22-23)32-29(33)11-5-10-28(24-12-16-26(34-3)17-13-24)25-14-18-27(35-4)19-15-25/h5,7,9-19,21-22H,6,8,20H2,1-4H3,(H,32,33)/b11-5+
InChIKeyHHFFZSZNKNABAB-VZUCSPMQSA-N
XLogP6.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide (CID 14347338) is (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide is COc1ccc(C(=C/C=C/C(=O)NC(C)(C)CCCc2cccnc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide?
The InChIKey is HHFFZSZNKNABAB-VZUCSPMQSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-30(2,20-6-8-23-9-7-21-31-22-23)32-29(33)11-5-10-28(24-12-16-26(34-3)17-13-24)25-14-18-27(35-4)19-15-25/h5,7,9-19,21-22H,6,8,20H2,1-4H3,(H,32,33)/b11-5+.
What are the key properties of (2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide?
(2E)-5,5-bis(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide has a molecular weight of 470.61 g/mol, XLogP of 6.00, 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(4-methoxyphenyl)-N-(2-methyl-5-pyridin-3-ylpentan-2-yl)penta-2,4-dienamide is sourced from PubChem (CID 14347338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).