N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline

C22H20N2O — CID 45146558

IUPACN-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
SMILESCOc1ccc(/C=C/C(=N/Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-25-21-15-12-18(13-16-21)14-17-22(19-8-4-2-5-9-19)24-23-20-10-6-3-7-11-20/h2-17,23H,1H3/b17-14+,24-22-
InChIKeyHLBCOMZIQMJHOC-AMHACFBHSA-N
MW328.42 g/mol
LogP5.22
Rot. Bonds6

About N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline

N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline (PubChem CID 45146558) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
PubChem CID45146558
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
SMILESCOc1ccc(/C=C/C(=N/Nc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O/c1-25-21-15-12-18(13-16-21)14-17-22(19-8-4-2-5-9-19)24-23-20-10-6-3-7-11-20/h2-17,23H,1H3/b17-14+,24-22-
InChIKeyHLBCOMZIQMJHOC-AMHACFBHSA-N
XLogP5.22
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
CID 6076546
N,N'-bis[1,3-bis(4-methoxyphenyl)prop-2-enylideneamino]propanediamide
CID 5029040
4-[[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]benzenesulfonamide
CID 10715538
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
(2E,4E)-5-(4-methoxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 10539553
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
(2E,4E)-N-(4-methoxyphenyl)-1,5-diphenylpenta-2,4-dien-1-imine
CID 134851984
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-(4-methoxyphenyl)prop-2-enoate
CID 51521387
[(Z)-[amino(phenyl)methylidene]amino] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19289952
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 129440523
N-[(E)-[(E)-1-[4-[3-[4-[(E)-N-anilino-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]phenoxy]propoxy]phenyl]-3-thiophen-2-ylprop-2-enylidene]amino]aniline
CID 139219881

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline?
The IUPAC name of N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline (CID 45146558) is N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline.
What is the SMILES notation for N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline?
The canonical SMILES for N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline is COc1ccc(/C=C/C(=N/Nc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline?
The InChIKey is HLBCOMZIQMJHOC-AMHACFBHSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-21-15-12-18(13-16-21)14-17-22(19-8-4-2-5-9-19)24-23-20-10-6-3-7-11-20/h2-17,23H,1H3/b17-14+,24-22-.
What are the key properties of N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline?
N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline has a molecular weight of 328.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline is sourced from PubChem (CID 45146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).