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

C30H33NO8 — CID 135360201

IUPAC(E)-N-[5-methoxy-2-[(E)-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)c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C30H33NO8/c1-33-22-12-11-21(10-8-19-14-24(34-2)29(38-6)25(15-19)35-3)23(18-22)31-28(32)13-9-20-16-26(36-4)30(39-7)27(17-20)37-5/h8-18H,1-7H3,(H,31,32)/b10-8+,13-9+
InChIKeyMWVXAFUBTPATDN-IAQVKYGWSA-N
MW535.59 g/mol
LogP5.57
Rot. Bonds12

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

(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 135360201) has the molecular formula C30H33NO8 and a molecular weight of 535.59 g/mol. Its IUPAC name is (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID135360201
Molecular FormulaC30H33NO8
Molecular Weight535.59 g/mol
Exact Mass535.22
IUPAC Name(E)-N-[5-methoxy-2-[(E)-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)c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C30H33NO8/c1-33-22-12-11-21(10-8-19-14-24(34-2)29(38-6)25(15-19)35-3)23(18-22)31-28(32)13-9-20-16-26(36-4)30(39-7)27(17-20)37-5/h8-18H,1-7H3,(H,31,32)/b10-8+,13-9+
InChIKeyMWVXAFUBTPATDN-IAQVKYGWSA-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-(4-amino-3-methoxyphenyl)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359431
(E)-3-(3,4,5-trimethoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359894
(E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 135360031
(E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
CID 134197466
(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-[4-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197451
(E)-3-(4-aminophenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135360146
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359904
(E)-3-(3,4-dimethoxyphenyl)-N-[2-methoxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134197468
(E)-N-[2-hydroxy-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 135359522
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 135360201) is (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-methoxy-2-[(E)-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)c(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is MWVXAFUBTPATDN-IAQVKYGWSA-N. The full InChI is InChI=1S/C30H33NO8/c1-33-22-12-11-21(10-8-19-14-24(34-2)29(38-6)25(15-19)35-3)23(18-22)31-28(32)13-9-20-16-26(36-4)30(39-7)27(17-20)37-5/h8-18H,1-7H3,(H,31,32)/b10-8+,13-9+.
What are the key properties of (E)-N-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[5-methoxy-2-[(E)-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-[5-methoxy-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 135360201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).