(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide

C27H37N3O2 — CID 22155183

IUPAC(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide
SMILESCCCCCC/C(=C\C=C\C(=O)NCCN(C)Cc1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C27H37N3O2/c1-4-5-6-7-11-24(25-14-16-26(32-3)17-15-25)12-8-13-27(31)29-19-20-30(2)22-23-10-9-18-28-21-23/h8-10,12-18,21H,4-7,11,19-20,22H2,1-3H3,(H,29,31)/b13-8+,24-12+
InChIKeyNDTPKCRTLWNMKA-NRCQUQFTSA-N
MW435.61 g/mol
LogP5.25
Rot. Bonds14

About (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide

(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide (PubChem CID 22155183) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide
PubChem CID22155183
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide
SMILESCCCCCC/C(=C\C=C\C(=O)NCCN(C)Cc1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C27H37N3O2/c1-4-5-6-7-11-24(25-14-16-26(32-3)17-15-25)12-8-13-27(31)29-19-20-30(2)22-23-10-9-18-28-21-23/h8-10,12-18,21H,4-7,11,19-20,22H2,1-3H3,(H,29,31)/b13-8+,24-12+
InChIKeyNDTPKCRTLWNMKA-NRCQUQFTSA-N
XLogP5.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.25
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'}

Analyze (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-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

Related Compounds

(2E,4Z)-5-(4-methoxyphenyl)deca-2,4-dienoic acid
CID 14347294
(2E,4E)-5-pyridin-3-yl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 22840709
(2E,4Z)-5-(3-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 88605091
5-(4-methoxyphenyl)deca-2,4-dienamide
CID 57201086
5-(2,6-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]undeca-2,4-dienamide
CID 54150101
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
(E)-3-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)but-2-enamide
CID 110408542
(2E)-N-(3-isoquinolin-8-ylpropyl)-5,5-bis(4-methoxyphenyl)penta-2,4-dienamide
CID 14347375
5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
CID 54386374
5-(4-methoxyphenyl)-N-[(2R)-5-thiophen-3-ylpentan-2-yl]deca-2,4-dienamide
CID 54039814
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide?
The IUPAC name of (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide (CID 22155183) is (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide is CCCCCC/C(=C\C=C\C(=O)NCCN(C)Cc1cccnc1)c1ccc(OC)cc1.
What is the InChIKey of (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide?
The InChIKey is NDTPKCRTLWNMKA-NRCQUQFTSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-4-5-6-7-11-24(25-14-16-26(32-3)17-15-25)12-8-13-27(31)29-19-20-30(2)22-23-10-9-18-28-21-23/h8-10,12-18,21H,4-7,11,19-20,22H2,1-3H3,(H,29,31)/b13-8+,24-12+.
What are the key properties of (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide?
(2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide has a molecular weight of 435.61 g/mol, XLogP of 5.25, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-methoxyphenyl)-N-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]undeca-2,4-dienamide is sourced from PubChem (CID 22155183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).