N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide

C23H22N2O3 — CID 73016288

IUPACN-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide
SMILESCC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17(15-18-7-9-19(10-8-18)23(26)25-27)16-24-20-11-13-22(14-12-20)28-21-5-3-2-4-6-21/h2-15,24,27H,16H2,1H3,(H,25,26)
InChIKeyWUMLNGSTCTVMLE-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.11
Rot. Bonds7

About N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide

N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide (PubChem CID 73016288) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide
PubChem CID73016288
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide
SMILESCC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H22N2O3/c1-17(15-18-7-9-19(10-8-18)23(26)25-27)16-24-20-11-13-22(14-12-20)28-21-5-3-2-4-6-21/h2-15,24,27H,16H2,1H3,(H,25,26)
InChIKeyWUMLNGSTCTVMLE-UHFFFAOYSA-N
XLogP5.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
3-methyl-4-(4-phenoxyphenyl)but-3-enal
CID 173397348
N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
CID 173185552
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
CID 11598751
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
2-acetamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 171137645

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide (CID 73016288) is N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide is CC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide?
The InChIKey is WUMLNGSTCTVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17(15-18-7-9-19(10-8-18)23(26)25-27)16-24-20-11-13-22(14-12-20)28-21-5-3-2-4-6-21/h2-15,24,27H,16H2,1H3,(H,25,26).
What are the key properties of N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide?
N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 5.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide is sourced from PubChem (CID 73016288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).