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

C11H21N3O3 — CID 76951295

IUPAC3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)CC1CCOCC1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-8(10(12)13-16)11(15)14(2)7-9-3-5-17-6-4-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyCWXZTWSRMVJXKI-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.25
Rot. Bonds4

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

3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 76951295) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID76951295
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)CC1CCOCC1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-8(10(12)13-16)11(15)14(2)7-9-3-5-17-6-4-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyCWXZTWSRMVJXKI-UHFFFAOYSA-N
XLogP0.25
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
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

N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942680
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 82748788
2-bromo-N-(cyclopropylmethyl)-N-methylpropanamide
CID 107904481
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]butanimidamide
CID 76987538
N-(cyclopentylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-N-methylpentanamide
CID 63655155
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
(2R)-2-amino-N-methyl-N-(oxan-4-ylmethyl)-2-phenylacetamide
CID 63706468
N-methyl-N-(oxan-4-ylmethyl)-2,2-diphenylacetamide
CID 110752410
2-amino-N-methyl-N-(oxan-4-ylmethyl)-3-phenylpropanamide
CID 53409102
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
CID 65267378
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 55226080

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide (CID 76951295) is 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide is CC(C(=O)N(C)CC1CCOCC1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is CWXZTWSRMVJXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(10(12)13-16)11(15)14(2)7-9-3-5-17-6-4-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide?
3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N,2-dimethyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 76951295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).