N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide

C20H24N2O3 — CID 87444428

IUPACN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-20(2,3)19(24)21-16-12-10-15(11-13-16)17(18(23)22-25)14-8-6-5-7-9-14/h5-13,17,25H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIZDLOSPWBVTQQB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.70
Rot. Bonds6

About N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide

N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide (PubChem CID 87444428) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
PubChem CID87444428
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(C(C(=O)NO)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-20(2,3)19(24)21-16-12-10-15(11-13-16)17(18(23)22-25)14-8-6-5-7-9-14/h5-13,17,25H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyIZDLOSPWBVTQQB-UHFFFAOYSA-N
XLogP3.70
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[4-[(4-chlorophenyl)methylamino]phenyl]-N-hydroxy-2-phenylacetamide
CID 25155891
N-[4-[hydroxy(methoxy)methyl]phenyl]-2,2-dimethylbutanamide
CID 66908403
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
2,2-dimethyl-N-[4-[1-(propylamino)ethyl]phenyl]butanamide
CID 62678760
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
CID 87444403
2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid
CID 23382692
6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide
CID 87444046
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320601
N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
CID 59476635
N-hydroxy-2-phenyl-2-[4-(2-pyrrol-1-ylethylamino)phenyl]acetamide
CID 135320184

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide (CID 87444428) is N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(C(C(=O)NO)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide?
The InChIKey is IZDLOSPWBVTQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-20(2,3)19(24)21-16-12-10-15(11-13-16)17(18(23)22-25)14-8-6-5-7-9-14/h5-13,17,25H,4H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide?
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide has a molecular weight of 340.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 87444428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).