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

C30H31NO6 — CID 135359583

IUPAC(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1cccc(/C=C/C(=O)Nc2cc(C=Cc3cc(OC)c(OC)c(OC)c3)ccc2OC)c1
InChIInChI=1S/C30H31NO6/c1-6-16-37-24-9-7-8-21(17-24)13-15-29(32)31-25-18-22(12-14-26(25)33-2)10-11-23-19-27(34-3)30(36-5)28(20-23)35-4/h6-15,17-20H,1,16H2,2-5H3,(H,31,32)/b11-10?,15-13+
InChIKeyVZWAEVYHUHDALZ-DWNVCEPCSA-N
MW501.58 g/mol
LogP6.11
Rot. Bonds12

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

(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 135359583) has the molecular formula C30H31NO6 and a molecular weight of 501.58 g/mol. Its IUPAC name is (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID135359583
Molecular FormulaC30H31NO6
Molecular Weight501.58 g/mol
Exact Mass501.22
IUPAC Name(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1cccc(/C=C/C(=O)Nc2cc(C=Cc3cc(OC)c(OC)c(OC)c3)ccc2OC)c1
InChIInChI=1S/C30H31NO6/c1-6-16-37-24-9-7-8-21(17-24)13-15-29(32)31-25-18-22(12-14-26(25)33-2)10-11-23-19-27(34-3)30(36-5)28(20-23)35-4/h6-15,17-20H,1,16H2,2-5H3,(H,31,32)/b11-10?,15-13+
InChIKeyVZWAEVYHUHDALZ-DWNVCEPCSA-N
XLogP6.11
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(3-prop-2-enoxyphenyl)-N-[2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359781
(E)-N-[5-methoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide
CID 134197466
(E)-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 155816075
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423
(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)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
(E)-3-(3,4-dimethoxyphenyl)-N-[2-hydroxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359579
(E)-3-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359720
(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)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide (CID 135359583) is (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1cccc(/C=C/C(=O)Nc2cc(C=Cc3cc(OC)c(OC)c(OC)c3)ccc2OC)c1.
What is the InChIKey of (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is VZWAEVYHUHDALZ-DWNVCEPCSA-N. The full InChI is InChI=1S/C30H31NO6/c1-6-16-37-24-9-7-8-21(17-24)13-15-29(32)31-25-18-22(12-14-26(25)33-2)10-11-23-19-27(34-3)30(36-5)28(20-23)35-4/h6-15,17-20H,1,16H2,2-5H3,(H,31,32)/b11-10?,15-13+.
What are the key properties of (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 501.58 g/mol, XLogP of 6.11, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(3-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 135359583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).