N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide

C16H24N2O3 — CID 166789012

IUPACN-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)NONC(=O)c1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)13(19)11-7-9-12(10-8-11)14(20)17-21-18-16(4,5)6/h7-10,18H,1-6H3,(H,17,20)
InChIKeyKGJGAVSBWGNQLR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.88
Rot. Bonds4

About N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide

N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide (PubChem CID 166789012) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide.

Molecular Properties

Compound NameN-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide
PubChem CID166789012
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide
SMILESCC(C)(C)NONC(=O)c1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)13(19)11-7-9-12(10-8-11)14(20)17-21-18-16(4,5)6/h7-10,18H,1-6H3,(H,17,20)
InChIKeyKGJGAVSBWGNQLR-UHFFFAOYSA-N
XLogP2.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-dimethylpropanoyl)-N-prop-2-enoxybenzamide
CID 10777831
1-[4-(2-tert-butylperoxypropan-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 139774129
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
CID 145132515
CID 145132515
[3-[4-(2,2-dimethylpropanoyl)benzoyl]oxy-2,2-bis[[4-(2,2-dimethylpropanoyl)benzoyl]oxymethyl]propyl] 4-(2,2-dimethylpropanoyl)benzoate
CID 10843367
4-iodo-N-[(4-iodobenzoyl)amino]oxybenzamide
CID 87933857
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
1-[4-(4-acetylphenyl)phenyl]-2,2-dimethylpropan-1-one
CID 90181841
2,2-dimethyl-1-[4-(methylsulfanylamino)phenyl]propan-1-one
CID 142910674
[4-(2,2-dimethylpropanoyl)phenyl]methyl 2-(methylamino)acetate
CID 90857236

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide?
The IUPAC name of N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide (CID 166789012) is N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide.
What is the SMILES notation for N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide?
The canonical SMILES for N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide is CC(C)(C)NONC(=O)c1ccc(C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide?
The InChIKey is KGJGAVSBWGNQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)13(19)11-7-9-12(10-8-11)14(20)17-21-18-16(4,5)6/h7-10,18H,1-6H3,(H,17,20).
What are the key properties of N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide?
N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylamino)oxy-4-(2,2-dimethylpropanoyl)benzamide is sourced from PubChem (CID 166789012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).