5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide

C36H48N2O10 — CID 54488772

IUPAC5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide
SMILESCOCCOCOc1ccc(C=CC=CC(=O)NCCCCNC(=O)C=CC=Cc2ccc(OCOCCOC)c(OC)c2)cc1OC
InChIInChI=1S/C36H48N2O10/c1-41-21-23-45-27-47-31-17-15-29(25-33(31)43-3)11-5-7-13-35(39)37-19-9-10-20-38-36(40)14-8-6-12-30-16-18-32(34(26-30)44-4)48-28-46-24-22-42-2/h5-8,11-18,25-26H,9-10,19-24,27-28H2,1-4H3,(H,37,39)(H,38,40)
InChIKeyXUGPAMDRYHTUHX-UHFFFAOYSA-N
MW668.78 g/mol
LogP4.55
Rot. Bonds25

About 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide

5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide (PubChem CID 54488772) has the molecular formula C36H48N2O10 and a molecular weight of 668.78 g/mol. Its IUPAC name is 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide.

Molecular Properties

Compound Name5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide
PubChem CID54488772
Molecular FormulaC36H48N2O10
Molecular Weight668.78 g/mol
Exact Mass668.33
IUPAC Name5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide
SMILESCOCCOCOc1ccc(C=CC=CC(=O)NCCCCNC(=O)C=CC=Cc2ccc(OCOCCOC)c(OC)c2)cc1OC
InChIInChI=1S/C36H48N2O10/c1-41-21-23-45-27-47-31-17-15-29(25-33(31)43-3)11-5-7-13-35(39)37-19-9-10-20-38-36(40)14-8-6-12-30-16-18-32(34(26-30)44-4)48-28-46-24-22-42-2/h5-8,11-18,25-26H,9-10,19-24,27-28H2,1-4H3,(H,37,39)(H,38,40)
InChIKeyXUGPAMDRYHTUHX-UHFFFAOYSA-N
XLogP4.55
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.78
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide with MolForge

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Related Compounds

(E)-N-(3-benzhydryloxypropyl)-3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70482910
5-[3,4-bis(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoic acid
CID 54184584
3-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]prop-2-enamide
CID 70430825
N-(4-acetamidobutyl)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienamide
CID 57154622
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846334

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide?
The IUPAC name of 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide (CID 54488772) is 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide.
What is the SMILES notation for 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide?
The canonical SMILES for 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide is COCCOCOc1ccc(C=CC=CC(=O)NCCCCNC(=O)C=CC=Cc2ccc(OCOCCOC)c(OC)c2)cc1OC.
What is the InChIKey of 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide?
The InChIKey is XUGPAMDRYHTUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2O10/c1-41-21-23-45-27-47-31-17-15-29(25-33(31)43-3)11-5-7-13-35(39)37-19-9-10-20-38-36(40)14-8-6-12-30-16-18-32(34(26-30)44-4)48-28-46-24-22-42-2/h5-8,11-18,25-26H,9-10,19-24,27-28H2,1-4H3,(H,37,39)(H,38,40).
What are the key properties of 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide?
5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide has a molecular weight of 668.78 g/mol, XLogP of 4.55, 25 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]-N-[4-[5-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]penta-2,4-dienoylamino]butyl]penta-2,4-dienamide is sourced from PubChem (CID 54488772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).