(Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one

C27H27NO4 — CID 134378165

IUPAC(Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
SMILESCOc1cc(/C=C\c2ccc(N/C=C\C(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C27H27NO4/c1-19-5-11-22(12-6-19)24(29)15-16-28-23-13-9-20(10-14-23)7-8-21-17-25(30-2)27(32-4)26(18-21)31-3/h5-18,28H,1-4H3/b8-7-,16-15-
InChIKeyQPBYSJTYAKJCEY-DRGLTMLKSA-N
MW429.52 g/mol
LogP6.00
Rot. Bonds9

About (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one

(Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one (PubChem CID 134378165) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
PubChem CID134378165
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name(Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
SMILESCOc1cc(/C=C\c2ccc(N/C=C\C(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C27H27NO4/c1-19-5-11-22(12-6-19)24(29)15-16-28-23-13-9-20(10-14-23)7-8-21-17-25(30-2)27(32-4)26(18-21)31-3/h5-18,28H,1-4H3/b8-7-,16-15-
InChIKeyQPBYSJTYAKJCEY-DRGLTMLKSA-N
XLogP6.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one with MolForge

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Related Compounds

1-(4-hydroxyphenyl)-3-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154251055
(Z)-3-[3-fluoro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-methylphenyl)prop-2-en-1-one
CID 118506959
1-phenyl-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154121936
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
3-(4-iodoanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 988320
(Z)-1-(3-hydroxy-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 140697991
1-(3-fluoro-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154345209
1-(3-amino-4-methoxyphenyl)-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154161434
(Z)-1-(4-aminophenyl)-3-[4,5-dimethoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495020
(Z)-3-[2,3-dimethoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 118495604

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
The IUPAC name of (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one (CID 134378165) is (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one is COc1cc(/C=C\c2ccc(N/C=C\C(=O)c3ccc(C)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
The InChIKey is QPBYSJTYAKJCEY-DRGLTMLKSA-N. The full InChI is InChI=1S/C27H27NO4/c1-19-5-11-22(12-6-19)24(29)15-16-28-23-13-9-20(10-14-23)7-8-21-17-25(30-2)27(32-4)26(18-21)31-3/h5-18,28H,1-4H3/b8-7-,16-15-.
What are the key properties of (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
(Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one has a molecular weight of 429.52 g/mol, XLogP of 6.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylphenyl)-3-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one is sourced from PubChem (CID 134378165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).