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

C27H27NO7 — CID 135359983

IUPAC(E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)/C=C/c2ccc(O)cc2)c1O
InChIInChI=1S/C27H27NO7/c1-32-21-13-10-19(9-5-18-15-22(33-2)27(35-4)23(16-18)34-3)25(26(21)31)28-24(30)14-8-17-6-11-20(29)12-7-17/h5-16,29,31H,1-4H3,(H,28,30)/b9-5+,14-8+
InChIKeyZSGKISWMMONGNF-NIMNNSQFSA-N
MW477.51 g/mol
LogP4.95
Rot. Bonds9

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

(E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 135359983) has the molecular formula C27H27NO7 and a molecular weight of 477.51 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID135359983
Molecular FormulaC27H27NO7
Molecular Weight477.51 g/mol
Exact Mass477.18
IUPAC Name(E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)/C=C/c2ccc(O)cc2)c1O
InChIInChI=1S/C27H27NO7/c1-32-21-13-10-19(9-5-18-15-22(33-2)27(35-4)23(16-18)34-3)25(26(21)31)28-24(30)14-8-17-6-11-20(29)12-7-17/h5-16,29,31H,1-4H3,(H,28,30)/b9-5+,14-8+
InChIKeyZSGKISWMMONGNF-NIMNNSQFSA-N
XLogP4.95
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-3-(4-fluorophenyl)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360009
(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-(3-aminophenyl)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359434
(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-(3,4-dihydroxyphenyl)-N-[3-hydroxy-2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359872
(E)-N-[2-hydroxy-3-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359996
(E)-3-(3-hydroxyphenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359576
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359871
(E)-3-(4-aminophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359949
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2,3-dimethoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359916
(E)-3-(3-hydroxyphenyl)-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360057

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide (CID 135359983) is (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide is COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)/C=C/c2ccc(O)cc2)c1O.
What is the InChIKey of (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is ZSGKISWMMONGNF-NIMNNSQFSA-N. The full InChI is InChI=1S/C27H27NO7/c1-32-21-13-10-19(9-5-18-15-22(33-2)27(35-4)23(16-18)34-3)25(26(21)31)28-24(30)14-8-17-6-11-20(29)12-7-17/h5-16,29,31H,1-4H3,(H,28,30)/b9-5+,14-8+.
What are the key properties of (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 477.51 g/mol, XLogP of 4.95, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 135359983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).