(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide

C20H23NO6 — CID 26703055

IUPAC(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C20H23NO6/c1-23-15-8-13(9-16(12-15)24-2)6-7-19(22)21-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-12H,1-5H3,(H,21,22)/b7-6+
InChIKeyKFZZZYXSDGHLDP-VOTSOKGWSA-N
MW373.41 g/mol
LogP3.38
Rot. Bonds8

About (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 26703055) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID26703055
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1
InChIInChI=1S/C20H23NO6/c1-23-15-8-13(9-16(12-15)24-2)6-7-19(22)21-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-12H,1-5H3,(H,21,22)/b7-6+
InChIKeyKFZZZYXSDGHLDP-VOTSOKGWSA-N
XLogP3.38
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
[4-[(E)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-enyl]phenyl] acetate
CID 90670908
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
(E)-3-(3-methoxyphenyl)-N-[3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359675
N-(4-iodophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4549362
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
N-(3-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1320377
(E)-N-(3,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 874970
methyl 4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 26274205
(E)-N-(3-acetamidophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26688768
N-(4-phenylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78569110

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 26703055) is (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1.
What is the InChIKey of (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is KFZZZYXSDGHLDP-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H23NO6/c1-23-15-8-13(9-16(12-15)24-2)6-7-19(22)21-14-10-17(25-3)20(27-5)18(11-14)26-4/h6-12H,1-5H3,(H,21,22)/b7-6+.
What are the key properties of (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 373.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26703055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).