4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

C19H22N2O4 — CID 59697043

IUPAC4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(23)20-17(12(2)22)19(24)21-25/h4-12,17,22,25H,3H2,1-2H3,(H,20,23)(H,21,24)/t12-,17+/m1/s1
InChIKeyBDISELOZERYPQP-PXAZEXFGSA-N
MW342.40 g/mol
LogP1.90
Rot. Bonds6

About 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide

4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide (PubChem CID 59697043) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
PubChem CID59697043
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
SMILESCCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1
InChIInChI=1S/C19H22N2O4/c1-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(23)20-17(12(2)22)19(24)21-25/h4-12,17,22,25H,3H2,1-2H3,(H,20,23)(H,21,24)/t12-,17+/m1/s1
InChIKeyBDISELOZERYPQP-PXAZEXFGSA-N
XLogP1.90
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.90
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide (CID 59697043) is 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide is CCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
The InChIKey is BDISELOZERYPQP-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(23)20-17(12(2)22)19(24)21-25/h4-12,17,22,25H,3H2,1-2H3,(H,20,23)(H,21,24)/t12-,17+/m1/s1.
What are the key properties of 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide?
4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 59697043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).