(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide

C19H19NO4 — CID 177376063

IUPAC(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C19H19NO4/c1-20(2)19(24)8-6-15-11-16(21)7-5-14(15)4-3-13-9-17(22)12-18(23)10-13/h3-12,21-23H,1-2H3/b4-3+,8-6+
InChIKeyYJFASSNJKSQWDV-PBOULFJWSA-N
MW325.36 g/mol
LogP3.08
Rot. Bonds4

About (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide

(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide (PubChem CID 177376063) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide
PubChem CID177376063
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C19H19NO4/c1-20(2)19(24)8-6-15-11-16(21)7-5-14(15)4-3-13-9-17(22)12-18(23)10-13/h3-12,21-23H,1-2H3/b4-3+,8-6+
InChIKeyYJFASSNJKSQWDV-PBOULFJWSA-N
XLogP3.08
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.08
H-Bond Donors ≤ 53
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-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-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-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide?
The IUPAC name of (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide (CID 177376063) is (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide is CN(C)C(=O)/C=C/c1cc(O)ccc1/C=C/c1cc(O)cc(O)c1.
What is the InChIKey of (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide?
The InChIKey is YJFASSNJKSQWDV-PBOULFJWSA-N. The full InChI is InChI=1S/C19H19NO4/c1-20(2)19(24)8-6-15-11-16(21)7-5-14(15)4-3-13-9-17(22)12-18(23)10-13/h3-12,21-23H,1-2H3/b4-3+,8-6+.
What are the key properties of (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide?
(E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide has a molecular weight of 325.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 177376063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).