(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide

C27H27NO6 — CID 135360314

IUPAC(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1c(O)cccc1/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H27NO6/c1-31-22-11-6-5-8-19(22)14-15-25(30)28-26-20(9-7-10-21(26)29)13-12-18-16-23(32-2)27(34-4)24(17-18)33-3/h5-17,29H,1-4H3,(H,28,30)/b13-12+,15-14+
InChIKeyLYGYXXSTPIRVDI-SQIWNDBBSA-N
MW461.51 g/mol
LogP5.25
Rot. Bonds9

About (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 135360314) has the molecular formula C27H27NO6 and a molecular weight of 461.51 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID135360314
Molecular FormulaC27H27NO6
Molecular Weight461.51 g/mol
Exact Mass461.18
IUPAC Name(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1c(O)cccc1/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C27H27NO6/c1-31-22-11-6-5-8-19(22)14-15-25(30)28-26-20(9-7-10-21(26)29)13-12-18-16-23(32-2)27(34-4)24(17-18)33-3/h5-17,29H,1-4H3,(H,28,30)/b13-12+,15-14+
InChIKeyLYGYXXSTPIRVDI-SQIWNDBBSA-N
XLogP5.25
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.51
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359871
(E)-3-(3-hydroxyphenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359576
(E)-3-(4-aminophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359949
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359613
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-3-(3,4-dihydroxyphenyl)-N-[3-hydroxy-2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359872
(E)-3-(3,4-dihydroxyphenyl)-N-[3-hydroxy-2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359873
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359460
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 162666594
(E)-3-(4-fluorophenyl)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360009
(E)-3-(3-aminophenyl)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359434
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 135360314) is (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1c(O)cccc1/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is LYGYXXSTPIRVDI-SQIWNDBBSA-N. The full InChI is InChI=1S/C27H27NO6/c1-31-22-11-6-5-8-19(22)14-15-25(30)28-26-20(9-7-10-21(26)29)13-12-18-16-23(32-2)27(34-4)24(17-18)33-3/h5-17,29H,1-4H3,(H,28,30)/b13-12+,15-14+.
What are the key properties of (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 461.51 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 135360314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).