N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline

C26H33NO3 — CID 58757918

IUPACN-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline
SMILESCCCOCCOCCOc1ccc(/C=C/C=C/C=C/c2ccc(NC)cc2)cc1
InChIInChI=1S/C26H33NO3/c1-3-18-28-19-20-29-21-22-30-26-16-12-24(13-17-26)9-7-5-4-6-8-23-10-14-25(27-2)15-11-23/h4-17,27H,3,18-22H2,1-2H3/b5-4+,8-6+,9-7+
InChIKeyMIDBDPAXQWOTJU-WUJFNTSISA-N
MW407.55 g/mol
LogP5.83
Rot. Bonds14

About N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline

N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline (PubChem CID 58757918) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline
PubChem CID58757918
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC NameN-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline
SMILESCCCOCCOCCOc1ccc(/C=C/C=C/C=C/c2ccc(NC)cc2)cc1
InChIInChI=1S/C26H33NO3/c1-3-18-28-19-20-29-21-22-30-26-16-12-24(13-17-26)9-7-5-4-6-8-23-10-14-25(27-2)15-11-23/h4-17,27H,3,18-22H2,1-2H3/b5-4+,8-6+,9-7+
InChIKeyMIDBDPAXQWOTJU-WUJFNTSISA-N
XLogP5.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline 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

4-[(1E,3E,5E)-6-[4-[2-[2-[2-(2-(131I)iodoethoxy)ethoxy]ethoxy]ethoxy]phenyl]hexa-1,3,5-trienyl]-N-methyl(131I)aniline
CID 11649856
4-[2-[4-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]-N-methylaniline
CID 140511057
4-[(E)-2-[4-(2-fluoroethoxy)phenyl]ethenyl]-N-methylaniline
CID 59510830
4-[(E)-2-[4-(4-fluorobutoxy)phenyl]ethenyl]-N-methylaniline
CID 45485172
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
4-hexoxy-N-methylaniline
CID 54803445
4-[(E)-2-[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 89181117
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-[(1E,3E)-4-(4-butoxyphenyl)buta-1,3-dienyl]-N,N-diethylaniline
CID 59296825
1-nitro-4-[(1E,3E,5E)-6-(4-propoxyphenyl)hexa-1,3,5-trienyl]benzene
CID 139039273
(2E,4E,6E,8E,10E)-11-(4-hexoxyphenyl)undeca-2,4,6,8,10-pentaenal
CID 15500974
ethane;1-[2-[2-[2-[4-(methylamino)phenoxy]ethoxy]ethoxy]ethoxy]propan-2-one;molecular hydrogen
CID 142365442

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline?
The IUPAC name of N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline (CID 58757918) is N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline.
What is the SMILES notation for N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline?
The canonical SMILES for N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline is CCCOCCOCCOc1ccc(/C=C/C=C/C=C/c2ccc(NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline?
The InChIKey is MIDBDPAXQWOTJU-WUJFNTSISA-N. The full InChI is InChI=1S/C26H33NO3/c1-3-18-28-19-20-29-21-22-30-26-16-12-24(13-17-26)9-7-5-4-6-8-23-10-14-25(27-2)15-11-23/h4-17,27H,3,18-22H2,1-2H3/b5-4+,8-6+,9-7+.
What are the key properties of N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline?
N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline has a molecular weight of 407.55 g/mol, XLogP of 5.83, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1E,3E,5E)-6-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]hexa-1,3,5-trienyl]aniline is sourced from PubChem (CID 58757918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).