3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide

C12H16N4O3 — CID 107811795

IUPAC3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
SMILESCC(C)(C(=O)Nc1cccc(C(N)=O)c1)/C(N)=N/O
InChIInChI=1S/C12H16N4O3/c1-12(2,10(14)16-19)11(18)15-8-5-3-4-7(6-8)9(13)17/h3-6,19H,1-2H3,(H2,13,17)(H2,14,16)(H,15,18)
InChIKeyHDXMCKKLACGSJI-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.50
Rot. Bonds4

About 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide

3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide (PubChem CID 107811795) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
PubChem CID107811795
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
SMILESCC(C)(C(=O)Nc1cccc(C(N)=O)c1)/C(N)=N/O
InChIInChI=1S/C12H16N4O3/c1-12(2,10(14)16-19)11(18)15-8-5-3-4-7(6-8)9(13)17/h3-6,19H,1-2H3,(H2,13,17)(H2,14,16)(H,15,18)
InChIKeyHDXMCKKLACGSJI-UHFFFAOYSA-N
XLogP0.50
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanoyl]amino]benzamide
CID 107811794
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739
3-amino-N-(3,4-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920661
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919747
3-amino-N-[4-(dimethylamino)phenyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920623
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3-amino-N-(2,3-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919749

Frequently Asked Questions

What is the IUPAC name of 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide?
The IUPAC name of 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide (CID 107811795) is 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide.
What is the SMILES notation for 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide?
The canonical SMILES for 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide is CC(C)(C(=O)Nc1cccc(C(N)=O)c1)/C(N)=N/O.
What is the InChIKey of 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide?
The InChIKey is HDXMCKKLACGSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(2,10(14)16-19)11(18)15-8-5-3-4-7(6-8)9(13)17/h3-6,19H,1-2H3,(H2,13,17)(H2,14,16)(H,15,18).
What are the key properties of 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide?
3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide has a molecular weight of 264.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide is sourced from PubChem (CID 107811795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).