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

C27H27NO5 — CID 135359871

IUPAC(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
SMILESCOc1cccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C27H27NO5/c1-30-22-12-8-11-21(26(22)28-25(29)16-14-19-9-6-5-7-10-19)15-13-20-17-23(31-2)27(33-4)24(18-20)32-3/h5-18H,1-4H3,(H,28,29)/b15-13+,16-14+
InChIKeySINPCXLAYYIYCQ-WXUKJITCSA-N
MW445.52 g/mol
LogP5.54
Rot. Bonds9

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

(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 135359871) has the molecular formula C27H27NO5 and a molecular weight of 445.52 g/mol. Its IUPAC name is (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
PubChem CID135359871
Molecular FormulaC27H27NO5
Molecular Weight445.52 g/mol
Exact Mass445.19
IUPAC Name(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
SMILESCOc1cccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C27H27NO5/c1-30-22-12-8-11-21(26(22)28-25(29)16-14-19-9-6-5-7-10-19)15-13-20-17-23(31-2)27(33-4)24(18-20)32-3/h5-18H,1-4H3,(H,28,29)/b15-13+,16-14+
InChIKeySINPCXLAYYIYCQ-WXUKJITCSA-N
XLogP5.54
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.54
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'}

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Related Compounds

(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-hydroxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 135360314
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359460
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359613
3-phenyl-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359677
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(E)-3-(4-fluorophenyl)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360009
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
(E)-3-(3-hydroxyphenyl)-N-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360057
(E)-3-(3-aminophenyl)-N-[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359434

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide (CID 135359871) is (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide is COc1cccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is SINPCXLAYYIYCQ-WXUKJITCSA-N. The full InChI is InChI=1S/C27H27NO5/c1-30-22-12-8-11-21(26(22)28-25(29)16-14-19-9-6-5-7-10-19)15-13-20-17-23(31-2)27(33-4)24(18-20)32-3/h5-18H,1-4H3,(H,28,29)/b15-13+,16-14+.
What are the key properties of (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 445.52 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135359871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).