(Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide

C16H14N2O4 — CID 142626315

IUPAC(Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide
SMILESNC(=O)/C(=C(\C(N)=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C16H14N2O4/c17-15(21)13(9-5-1-3-7-11(9)19)14(16(18)22)10-6-2-4-8-12(10)20/h1-8,19-20H,(H2,17,21)(H2,18,22)/b14-13-
InChIKeyBHYMZTGRIZBMIY-YPKPFQOOSA-N
MW298.30 g/mol
LogP0.98
Rot. Bonds4

About (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide

(Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide (PubChem CID 142626315) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide
PubChem CID142626315
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name(Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide
SMILESNC(=O)/C(=C(\C(N)=O)c1ccccc1O)c1ccccc1O
InChIInChI=1S/C16H14N2O4/c17-15(21)13(9-5-1-3-7-11(9)19)14(16(18)22)10-6-2-4-8-12(10)20/h1-8,19-20H,(H2,17,21)(H2,18,22)/b14-13-
InChIKeyBHYMZTGRIZBMIY-YPKPFQOOSA-N
XLogP0.98
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide?
The IUPAC name of (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide (CID 142626315) is (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide.
What is the SMILES notation for (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide?
The canonical SMILES for (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide is NC(=O)/C(=C(\C(N)=O)c1ccccc1O)c1ccccc1O.
What is the InChIKey of (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide?
The InChIKey is BHYMZTGRIZBMIY-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H14N2O4/c17-15(21)13(9-5-1-3-7-11(9)19)14(16(18)22)10-6-2-4-8-12(10)20/h1-8,19-20H,(H2,17,21)(H2,18,22)/b14-13-.
What are the key properties of (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide?
(Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide has a molecular weight of 298.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis(2-hydroxyphenyl)but-2-enediamide is sourced from PubChem (CID 142626315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).