3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide

C11H22N4O3 — CID 114167670

IUPAC3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C11H22N4O3/c1-10(2,8(16)13-5)6-14-9(17)11(3,4)7(12)15-18/h18H,6H2,1-5H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyZRRKZPQAMLQWFD-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.35
Rot. Bonds5

About 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide

3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide (PubChem CID 114167670) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
PubChem CID114167670
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C11H22N4O3/c1-10(2,8(16)13-5)6-14-9(17)11(3,4)7(12)15-18/h18H,6H2,1-5H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyZRRKZPQAMLQWFD-UHFFFAOYSA-N
XLogP-0.35
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.35
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-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
CID 104866162
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106279641
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947361
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
CID 82944389
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide (CID 114167670) is 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide?
The InChIKey is ZRRKZPQAMLQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-10(2,8(16)13-5)6-14-9(17)11(3,4)7(12)15-18/h18H,6H2,1-5H3,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide?
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide has a molecular weight of 258.32 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide is sourced from PubChem (CID 114167670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).