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

C28H29NO4 — CID 118509342

IUPAC(Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
SMILESCCc1ccccc1C(=O)/C=C\Nc1ccccc1/C=C\c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C28H29NO4/c1-5-21-10-6-8-12-23(21)25(30)16-17-29-24-13-9-7-11-22(24)15-14-20-18-26(31-2)28(33-4)27(19-20)32-3/h6-19,29H,5H2,1-4H3/b15-14-,17-16-
InChIKeyZNYVIZLHJGCFOA-WHEHHYQMSA-N
MW443.54 g/mol
LogP6.25
Rot. Bonds10

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

(Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one (PubChem CID 118509342) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
PubChem CID118509342
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name(Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
SMILESCCc1ccccc1C(=O)/C=C\Nc1ccccc1/C=C\c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C28H29NO4/c1-5-21-10-6-8-12-23(21)25(30)16-17-29-24-13-9-7-11-22(24)15-14-20-18-26(31-2)28(33-4)27(19-20)32-3/h6-19,29H,5H2,1-4H3/b15-14-,17-16-
InChIKeyZNYVIZLHJGCFOA-WHEHHYQMSA-N
XLogP6.25
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 56.25
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-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one with MolForge

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Related Compounds

(Z)-1-(1-methylindol-3-yl)-3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495325
(Z)-1-(2-aminophenyl)-3-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495394
3-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154196778
1-(2-aminophenyl)-3-[4-hydroxy-5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154163389
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
1-(2-aminophenyl)-3-[2,3-dimethoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154161631
(Z)-1-(2-aminophenyl)-3-[3-chloro-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 118495694
(Z)-3-[4-chloro-5-methoxy-2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(2-nitrophenyl)prop-2-en-1-one
CID 118495522
(Z)-3-[3-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 140697976
3-[3-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-phenylprop-2-en-1-one
CID 154189228
(Z)-3-[2,3-dimethoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 118495563
3-[2,3-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 154206174

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
The IUPAC name of (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one (CID 118509342) is (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
The canonical SMILES for (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one is CCc1ccccc1C(=O)/C=C\Nc1ccccc1/C=C\c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
The InChIKey is ZNYVIZLHJGCFOA-WHEHHYQMSA-N. The full InChI is InChI=1S/C28H29NO4/c1-5-21-10-6-8-12-23(21)25(30)16-17-29-24-13-9-7-11-22(24)15-14-20-18-26(31-2)28(33-4)27(19-20)32-3/h6-19,29H,5H2,1-4H3/b15-14-,17-16-.
What are the key properties of (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one?
(Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one has a molecular weight of 443.54 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-ethylphenyl)-3-[2-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one is sourced from PubChem (CID 118509342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).