(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C24H23NO5 — CID 126069091

IUPAC(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO5/c1-27-22-15-17(16-23(28-2)24(22)29-3)20(26)13-14-25-19-11-7-8-12-21(19)30-18-9-5-4-6-10-18/h4-16,25H,1-3H3/b14-13+
InChIKeyZJYZHLGJGNFWBK-BUHFOSPRSA-N
MW405.45 g/mol
LogP5.31
Rot. Bonds9

About (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 126069091) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID126069091
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H23NO5/c1-27-22-15-17(16-23(28-2)24(22)29-3)20(26)13-14-25-19-11-7-8-12-21(19)30-18-9-5-4-6-10-18/h4-16,25H,1-3H3/b14-13+
InChIKeyZJYZHLGJGNFWBK-BUHFOSPRSA-N
XLogP5.31
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyanilino)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 758643
3-(2-methoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 799151
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)-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-[(4-methyl-2-pyridinyl)amino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 139030138
3-(2-acetylanilino)-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 1481555
(E)-N-[4-methoxy-3-[[(Z)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]amino]phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 126519388
1-phenyl-3-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one
CID 154121936
CID 131885797
CID 131885797
(E)-3-(2-ethoxyanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 39346530

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 126069091) is (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is COc1cc(C(=O)/C=C/Nc2ccccc2Oc2ccccc2)cc(OC)c1OC.
What is the InChIKey of (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is ZJYZHLGJGNFWBK-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H23NO5/c1-27-22-15-17(16-23(28-2)24(22)29-3)20(26)13-14-25-19-11-7-8-12-21(19)30-18-9-5-4-6-10-18/h4-16,25H,1-3H3/b14-13+.
What are the key properties of (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 405.45 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-phenoxyanilino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 126069091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).