3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide

C17H16N2O4 — CID 174203715

IUPAC3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(C=CC(=O)NO)c2)c1
InChIInChI=1S/C17H16N2O4/c1-23-15-7-3-6-14(11-15)18-17(21)13-5-2-4-12(10-13)8-9-16(20)19-22/h2-11,22H,1H3,(H,18,21)(H,19,20)
InChIKeyHWMNZTZBWDUIPX-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.47
Rot. Bonds5

About 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide

3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide (PubChem CID 174203715) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
PubChem CID174203715
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2cccc(C=CC(=O)NO)c2)c1
InChIInChI=1S/C17H16N2O4/c1-23-15-7-3-6-14(11-15)18-17(21)13-5-2-4-12(10-13)8-9-16(20)19-22/h2-11,22H,1H3,(H,18,21)(H,19,20)
InChIKeyHWMNZTZBWDUIPX-UHFFFAOYSA-N
XLogP2.47
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide 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-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-pyridin-3-ylbenzamide
CID 23557297
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-hydroxy-3-[3-[(3-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 86591900
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]benzamide
CID 88862108
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
[3-[[3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927951
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide (CID 174203715) is 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2cccc(C=CC(=O)NO)c2)c1.
What is the InChIKey of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide?
The InChIKey is HWMNZTZBWDUIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-15-7-3-6-14(11-15)18-17(21)13-5-2-4-12(10-13)8-9-16(20)19-22/h2-11,22H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide?
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide has a molecular weight of 312.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 174203715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).