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

C31H36N2O5 — CID 14347360

IUPAC(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C31H36N2O5/c1-22(9-6-10-23-11-8-18-32-21-23)33-31(34)13-7-12-26(24-14-16-27(35-2)29(19-24)37-4)25-15-17-28(36-3)30(20-25)38-5/h7-8,11-22H,6,9-10H2,1-5H3,(H,33,34)/b13-7+/t22-/m1/s1
InChIKeyKYAGZPGUYGDWKP-ZCQBWMKESA-N
MW516.64 g/mol
LogP5.63
Rot. Bonds13

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

(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (PubChem CID 14347360) has the molecular formula C31H36N2O5 and a molecular weight of 516.64 g/mol. Its IUPAC name is (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
PubChem CID14347360
Molecular FormulaC31H36N2O5
Molecular Weight516.64 g/mol
Exact Mass516.26
IUPAC Name(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
SMILESCOc1ccc(C(=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C31H36N2O5/c1-22(9-6-10-23-11-8-18-32-21-23)33-31(34)13-7-12-26(24-14-16-27(35-2)29(19-24)37-4)25-15-17-28(36-3)30(20-25)38-5/h7-8,11-22H,6,9-10H2,1-5H3,(H,33,34)/b13-7+/t22-/m1/s1
InChIKeyKYAGZPGUYGDWKP-ZCQBWMKESA-N
XLogP5.63
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The IUPAC name of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (CID 14347360) is (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The canonical SMILES for (2E)-5,5-bis(3,4-dimethoxyphenyl)-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)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
The InChIKey is KYAGZPGUYGDWKP-ZCQBWMKESA-N. The full InChI is InChI=1S/C31H36N2O5/c1-22(9-6-10-23-11-8-18-32-21-23)33-31(34)13-7-12-26(24-14-16-27(35-2)29(19-24)37-4)25-15-17-28(36-3)30(20-25)38-5/h7-8,11-22H,6,9-10H2,1-5H3,(H,33,34)/b13-7+/t22-/m1/s1.
What are the key properties of (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?
(2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide has a molecular weight of 516.64 g/mol, XLogP of 5.63, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 14347360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).