(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide

C23H27NO4 — CID 71495988

IUPAC(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC(C)C)cc1
InChIInChI=1S/C23H27NO4/c1-16(2)24-23(25)13-12-21-18(14-20(27-4)15-22(21)28-5)9-6-17-7-10-19(26-3)11-8-17/h6-16H,1-5H3,(H,24,25)/b9-6+,13-12+
InChIKeyRFYXXAAUMNFXQX-UXKPLKHMSA-N
MW381.47 g/mol
LogP4.42
Rot. Bonds8

About (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide

(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide (PubChem CID 71495988) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide
PubChem CID71495988
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide
SMILESCOc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC(C)C)cc1
InChIInChI=1S/C23H27NO4/c1-16(2)24-23(25)13-12-21-18(14-20(27-4)15-22(21)28-5)9-6-17-7-10-19(26-3)11-8-17/h6-16H,1-5H3,(H,24,25)/b9-6+,13-12+
InChIKeyRFYXXAAUMNFXQX-UXKPLKHMSA-N
XLogP4.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide (CID 71495988) is (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide is COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC(C)C)cc1.
What is the InChIKey of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide?
The InChIKey is RFYXXAAUMNFXQX-UXKPLKHMSA-N. The full InChI is InChI=1S/C23H27NO4/c1-16(2)24-23(25)13-12-21-18(14-20(27-4)15-22(21)28-5)9-6-17-7-10-19(26-3)11-8-17/h6-16H,1-5H3,(H,24,25)/b9-6+,13-12+.
What are the key properties of (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide?
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide has a molecular weight of 381.47 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 71495988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).