1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone

C23H21NO — CID 69412326

IUPAC1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(N)cc2CC=Cc2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-17(25)19-10-12-20(13-11-19)23-15-14-22(24)16-21(23)9-5-8-18-6-3-2-4-7-18/h2-8,10-16H,9,24H2,1H3
InChIKeyYVLLXRWMYSBDRK-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.39
Rot. Bonds5

About 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone

1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone (PubChem CID 69412326) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
PubChem CID69412326
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(N)cc2CC=Cc2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-17(25)19-10-12-20(13-11-19)23-15-14-22(24)16-21(23)9-5-8-18-6-3-2-4-7-18/h2-8,10-16H,9,24H2,1H3
InChIKeyYVLLXRWMYSBDRK-UHFFFAOYSA-N
XLogP5.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-6-phenyl-3-[(E)-3-phenylprop-2-enyl]phenyl]ethanone
CID 138973706
1-[4-[(E)-3-phenylprop-1-enyl]phenyl]ethanone
CID 10633570
(E)-1-(4-acetylphenyl)-4-phenylbut-3-en-1-one
CID 46928519
1-[4-(2,5-diaminophenyl)phenyl]ethanone
CID 18371663
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
CID 89462725
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
CID 135075910
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
CID 11323090

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone (CID 69412326) is 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(N)cc2CC=Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone?
The InChIKey is YVLLXRWMYSBDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17(25)19-10-12-20(13-11-19)23-15-14-22(24)16-21(23)9-5-8-18-6-3-2-4-7-18/h2-8,10-16H,9,24H2,1H3.
What are the key properties of 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone?
1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 69412326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).