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

C30H33NO8 — CID 155816075

IUPAC(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C30H33NO8/c1-33-23-12-10-19(8-9-20-15-24(34-2)29(38-6)25(16-20)35-3)14-22(23)31-28(32)13-11-21-17-26(36-4)30(39-7)27(18-21)37-5/h8-18H,1-7H3,(H,31,32)/b9-8-,13-11+
InChIKeyAOWDBZAJEJLEJU-CWXHDNBGSA-N
MW535.59 g/mol
LogP5.57
Rot. Bonds12

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

(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 155816075) has the molecular formula C30H33NO8 and a molecular weight of 535.59 g/mol. Its IUPAC name is (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID155816075
Molecular FormulaC30H33NO8
Molecular Weight535.59 g/mol
Exact Mass535.22
IUPAC Name(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C30H33NO8/c1-33-23-12-10-19(8-9-20-15-24(34-2)29(38-6)25(16-20)35-3)14-22(23)31-28(32)13-11-21-17-26(36-4)30(39-7)27(18-21)37-5/h8-18H,1-7H3,(H,31,32)/b9-8-,13-11+
InChIKeyAOWDBZAJEJLEJU-CWXHDNBGSA-N
XLogP5.57
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.59
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(E)-3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359579
(E)-3-(3-methoxy-4-nitrophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360292
(E)-3-(2-aminophenyl)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359897
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-hydroxy-3-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359992
(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
CID 135359583
(E)-3-(4-aminophenyl)-N-[2-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359857
(E)-3-(3,4-dihydroxyphenyl)-N-[2-hydroxy-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359982
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-3-(3-amino-4-methoxyphenyl)-N-[2-hydroxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359428
(E)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(1-methylindol-3-yl)prop-2-enamide
CID 135359986

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 155816075) is (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is AOWDBZAJEJLEJU-CWXHDNBGSA-N. The full InChI is InChI=1S/C30H33NO8/c1-33-23-12-10-19(8-9-20-15-24(34-2)29(38-6)25(16-20)35-3)14-22(23)31-28(32)13-11-21-17-26(36-4)30(39-7)27(18-21)37-5/h8-18H,1-7H3,(H,31,32)/b9-8-,13-11+.
What are the key properties of (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 535.59 g/mol, XLogP of 5.57, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 155816075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).