N,N'-bis(3-hydroxyphenyl)but-2-enediamide

C16H14N2O4 — CID 754651

IUPACN,N'-bis(3-hydroxyphenyl)but-2-enediamide
SMILESO=C(C=CC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1
InChIInChI=1S/C16H14N2O4/c19-13-5-1-3-11(9-13)17-15(21)7-8-16(22)18-12-4-2-6-14(20)10-12/h1-10,19-20H,(H,17,21)(H,18,22)
InChIKeyUCQBGUBAJMSMPN-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.23
Rot. Bonds4

About N,N'-bis(3-hydroxyphenyl)but-2-enediamide

N,N'-bis(3-hydroxyphenyl)but-2-enediamide (PubChem CID 754651) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N,N'-bis(3-hydroxyphenyl)but-2-enediamide.

Molecular Properties

Compound NameN,N'-bis(3-hydroxyphenyl)but-2-enediamide
PubChem CID754651
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN,N'-bis(3-hydroxyphenyl)but-2-enediamide
SMILESO=C(C=CC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1
InChIInChI=1S/C16H14N2O4/c19-13-5-1-3-11(9-13)17-15(21)7-8-16(22)18-12-4-2-6-14(20)10-12/h1-10,19-20H,(H,17,21)(H,18,22)
InChIKeyUCQBGUBAJMSMPN-UHFFFAOYSA-N
XLogP2.23
TPSA98.66 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 ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(3-hydroxyphenyl)but-2-enediamide 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

3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid;hydroiodide
CID 87259063
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783784
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
3-[3-(furan-2-yl)prop-2-enoylamino]-N-(3-hydroxyphenyl)benzamide
CID 804548
2,2-difluoro-N-(3-hydroxyphenyl)acetamide
CID 103600554

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-hydroxyphenyl)but-2-enediamide?
The IUPAC name of N,N'-bis(3-hydroxyphenyl)but-2-enediamide (CID 754651) is N,N'-bis(3-hydroxyphenyl)but-2-enediamide.
What is the SMILES notation for N,N'-bis(3-hydroxyphenyl)but-2-enediamide?
The canonical SMILES for N,N'-bis(3-hydroxyphenyl)but-2-enediamide is O=C(C=CC(=O)Nc1cccc(O)c1)Nc1cccc(O)c1.
What is the InChIKey of N,N'-bis(3-hydroxyphenyl)but-2-enediamide?
The InChIKey is UCQBGUBAJMSMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c19-13-5-1-3-11(9-13)17-15(21)7-8-16(22)18-12-4-2-6-14(20)10-12/h1-10,19-20H,(H,17,21)(H,18,22).
What are the key properties of N,N'-bis(3-hydroxyphenyl)but-2-enediamide?
N,N'-bis(3-hydroxyphenyl)but-2-enediamide has a molecular weight of 298.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-hydroxyphenyl)but-2-enediamide is sourced from PubChem (CID 754651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).