4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide

C18H18N2O2 — CID 123743489

IUPAC4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide
SMILESC=CC=CN(Cc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-3-13-20(17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(21)19-22/h2-13,22H,1,14H2,(H,19,21)
InChIKeyCHMXIAFDZWRJRL-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.51
Rot. Bonds6

About 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide

4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide (PubChem CID 123743489) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide
PubChem CID123743489
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide
SMILESC=CC=CN(Cc1ccc(C(=O)NO)cc1)c1ccccc1
InChIInChI=1S/C18H18N2O2/c1-2-3-13-20(17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(21)19-22/h2-13,22H,1,14H2,(H,19,21)
InChIKeyCHMXIAFDZWRJRL-UHFFFAOYSA-N
XLogP3.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide 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 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide (CID 123743489) is 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide is C=CC=CN(Cc1ccc(C(=O)NO)cc1)c1ccccc1.
What is the InChIKey of 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide?
The InChIKey is CHMXIAFDZWRJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-3-13-20(17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(21)19-22/h2-13,22H,1,14H2,(H,19,21).
What are the key properties of 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide?
4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-buta-1,3-dienylanilino)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 123743489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).