(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide

C20H20NO2P — CID 143209580

IUPAC(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
SMILES[H]/P=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1C)c1ccc(C)cc1
InChIInChI=1S/C20H20NO2P/c1-14-3-7-18(8-4-14)19(24)11-10-17-9-5-16(13-15(17)2)6-12-20(22)21-23/h3-13,23-24H,1-2H3,(H,21,22)/b11-10+,12-6+
InChIKeyLBLLQHATVAFGSO-XTFSJJGVSA-N
MW337.36 g/mol
LogP4.20
Rot. Bonds5

About (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide (PubChem CID 143209580) has the molecular formula C20H20NO2P and a molecular weight of 337.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
PubChem CID143209580
Molecular FormulaC20H20NO2P
Molecular Weight337.36 g/mol
Exact Mass337.12
IUPAC Name(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide
SMILES[H]/P=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1C)c1ccc(C)cc1
InChIInChI=1S/C20H20NO2P/c1-14-3-7-18(8-4-14)19(24)11-10-17-9-5-16(13-15(17)2)6-12-20(22)21-23/h3-13,23-24H,1-2H3,(H,21,22)/b11-10+,12-6+
InChIKeyLBLLQHATVAFGSO-XTFSJJGVSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-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

Related Compounds

(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]prop-2-enamide
CID 11652550
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(E)-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 969096
(E)-3-[3-chloro-4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]phenyl]-N-hydroxyprop-2-enamide
CID 143209581
3-(2,4-dimethylphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109928
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
N-hydroxy-3-[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 74326373
(E)-3-[3-chloro-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11508464
(E)-N-hydroxy-3-(3-methyl-4-propoxyphenyl)prop-2-enamide
CID 6433962
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-N-(4-fluoro-2-methylphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 8863833
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide (CID 143209580) is (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide is [H]/P=C(/C=C/c1ccc(/C=C/C(=O)NO)cc1C)c1ccc(C)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is LBLLQHATVAFGSO-XTFSJJGVSA-N. The full InChI is InChI=1S/C20H20NO2P/c1-14-3-7-18(8-4-14)19(24)11-10-17-9-5-16(13-15(17)2)6-12-20(22)21-23/h3-13,23-24H,1-2H3,(H,21,22)/b11-10+,12-6+.
What are the key properties of (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 337.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-methyl-4-[(E)-3-(4-methylphenyl)-3-phosphanylideneprop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 143209580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).