3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide

C11H21N3O3 — CID 76951227

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCC1CCOCC1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-11(2,9(12)14-16)10(15)13-7-8-3-5-17-6-4-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIZLQMPUPIIQOKD-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.30
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 76951227) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID76951227
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCC1CCOCC1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-11(2,9(12)14-16)10(15)13-7-8-3-5-17-6-4-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyIZLQMPUPIIQOKD-UHFFFAOYSA-N
XLogP0.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
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-(oxolan-3-ylmethyl)propanamide
CID 76950134
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(oxan-3-ylmethyl)butanamide
CID 113270817
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(thian-4-ylmethyl)butanamide
CID 104866189

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide (CID 76951227) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide is CC(C)(C(=O)NCC1CCOCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is IZLQMPUPIIQOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,9(12)14-16)10(15)13-7-8-3-5-17-6-4-8/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 76951227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).