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

C17H19NO5 — CID 26101754

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(C)o2)cc(OC)c1OC
InChIInChI=1S/C17H19NO5/c1-11-5-6-13(23-11)7-8-16(19)18-12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)/b8-7+
InChIKeyQZPZLQLYYWOCDS-BQYQJAHWSA-N
MW317.34 g/mol
LogP3.27
Rot. Bonds6

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

(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 26101754) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID26101754
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(C)o2)cc(OC)c1OC
InChIInChI=1S/C17H19NO5/c1-11-5-6-13(23-11)7-8-16(19)18-12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)/b8-7+
InChIKeyQZPZLQLYYWOCDS-BQYQJAHWSA-N
XLogP3.27
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-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

Related Compounds

N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499
(E)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
[4-[(E)-3-oxo-3-(3,4,5-trimethoxyanilino)prop-1-enyl]phenyl] acetate
CID 90670908
3-methoxy-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 50846758
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712902
(E)-3-(3,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26703055

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 26101754) is (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(C)o2)cc(OC)c1OC.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is QZPZLQLYYWOCDS-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19NO5/c1-11-5-6-13(23-11)7-8-16(19)18-12-9-14(20-2)17(22-4)15(10-12)21-3/h5-10H,1-4H3,(H,18,19)/b8-7+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 317.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 26101754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).