4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline

C24H28N2 — CID 145407811

IUPAC4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline
SMILESC=CNC/C(=C\C)c1ccc(Nc2ccc(C(/C=C\C)=C/C)cc2)cc1
InChIInChI=1S/C24H28N2/c1-5-9-19(6-2)21-10-14-23(15-11-21)26-24-16-12-22(13-17-24)20(7-3)18-25-8-4/h5-17,25-26H,4,18H2,1-3H3/b9-5-,19-6+,20-7+
InChIKeyXACODQHIABQWEJ-FAZCKKMRSA-N
MW344.50 g/mol
LogP6.55
Rot. Bonds8

About 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline

4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline (PubChem CID 145407811) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline
PubChem CID145407811
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline
SMILESC=CNC/C(=C\C)c1ccc(Nc2ccc(C(/C=C\C)=C/C)cc2)cc1
InChIInChI=1S/C24H28N2/c1-5-9-19(6-2)21-10-14-23(15-11-21)26-24-16-12-22(13-17-24)20(7-3)18-25-8-4/h5-17,25-26H,4,18H2,1-3H3/b9-5-,19-6+,20-7+
InChIKeyXACODQHIABQWEJ-FAZCKKMRSA-N
XLogP6.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline?
The IUPAC name of 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline (CID 145407811) is 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline.
What is the SMILES notation for 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline?
The canonical SMILES for 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline is C=CNC/C(=C\C)c1ccc(Nc2ccc(C(/C=C\C)=C/C)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline?
The InChIKey is XACODQHIABQWEJ-FAZCKKMRSA-N. The full InChI is InChI=1S/C24H28N2/c1-5-9-19(6-2)21-10-14-23(15-11-21)26-24-16-12-22(13-17-24)20(7-3)18-25-8-4/h5-17,25-26H,4,18H2,1-3H3/b9-5-,19-6+,20-7+.
What are the key properties of 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline?
4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline has a molecular weight of 344.50 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(ethenylamino)but-2-en-2-yl]-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]aniline is sourced from PubChem (CID 145407811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).