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

C27H28N2O5 — CID 134197451

IUPAC(E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccc2N)c(/C=C/c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C27H28N2O5/c1-31-21-12-13-23(29-26(30)14-11-19-7-5-6-8-22(19)28)20(17-21)10-9-18-15-24(32-2)27(34-4)25(16-18)33-3/h5-17H,28H2,1-4H3,(H,29,30)/b10-9+,14-11+
InChIKeyZOSSIFWATDLLHZ-QDCWQMMGSA-N
MW460.53 g/mol
LogP5.13
Rot. Bonds9

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

(E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (PubChem CID 134197451) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
PubChem CID134197451
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name(E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccccc2N)c(/C=C/c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C27H28N2O5/c1-31-21-12-13-23(29-26(30)14-11-19-7-5-6-8-22(19)28)20(17-21)10-9-18-15-24(32-2)27(34-4)25(16-18)33-3/h5-17H,28H2,1-4H3,(H,29,30)/b10-9+,14-11+
InChIKeyZOSSIFWATDLLHZ-QDCWQMMGSA-N
XLogP5.13
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-3-methoxyphenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360001
(E)-3-(2-aminophenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197471
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897
(E)-3-(2-aminophenyl)-N-[2-hydroxy-3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360111
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135360201
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-3-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359431
(E)-3-(4-aminophenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360146
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 135360031
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359904
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide (CID 134197451) is (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccccc2N)c(/C=C/c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
The InChIKey is ZOSSIFWATDLLHZ-QDCWQMMGSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-31-21-12-13-23(29-26(30)14-11-19-7-5-6-8-22(19)28)20(17-21)10-9-18-15-24(32-2)27(34-4)25(16-18)33-3/h5-17H,28H2,1-4H3,(H,29,30)/b10-9+,14-11+.
What are the key properties of (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide?
(E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide has a molecular weight of 460.53 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-aminophenyl)-N-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 134197451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).