N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane

C18H22N2O5 — CID 157186209

IUPACN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane
SMILESC.C[C@@H](O)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NO
InChIInChI=1S/C17H18N2O5.CH4/c1-11(20)15(17(22)19-23)18-16(21)12-6-5-9-14(10-12)24-13-7-3-2-4-8-13;/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22);1H4/t11-,15+;/m1./s1
InChIKeyAPDMUCXIXFVRGY-BTAXJDQBSA-N
MW346.38 g/mol
LogP2.10
Rot. Bonds6

About N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane (PubChem CID 157186209) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane.

Molecular Properties

Compound NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane
PubChem CID157186209
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane
SMILESC.C[C@@H](O)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NO
InChIInChI=1S/C17H18N2O5.CH4/c1-11(20)15(17(22)19-23)18-16(21)12-6-5-9-14(10-12)24-13-7-3-2-4-8-13;/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22);1H4/t11-,15+;/m1./s1
InChIKeyAPDMUCXIXFVRGY-BTAXJDQBSA-N
XLogP2.10
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
N-pentan-3-yl-3-phenoxybenzamide
CID 2442055
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[2-(3-methoxyphenyl)ethynyl]benzamide
CID 59697903
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
methyl (2S)-3-hydroxy-2-[(3-phenoxybenzoyl)amino]propanoate
CID 9277490
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
CID 71911480

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane?
The IUPAC name of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane (CID 157186209) is N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane.
What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane?
The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane is C.C[C@@H](O)[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C(=O)NO.
What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane?
The InChIKey is APDMUCXIXFVRGY-BTAXJDQBSA-N. The full InChI is InChI=1S/C17H18N2O5.CH4/c1-11(20)15(17(22)19-23)18-16(21)12-6-5-9-14(10-12)24-13-7-3-2-4-8-13;/h2-11,15,20,23H,1H3,(H,18,21)(H,19,22);1H4/t11-,15+;/m1./s1.
What are the key properties of N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane?
N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane has a molecular weight of 346.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-3-phenoxybenzamide;methane is sourced from PubChem (CID 157186209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).