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

C12H23N3O3 — CID 76921233

IUPAC3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide
SMILESCN(CC1CCCCO1)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H23N3O3/c1-12(2,10(13)14-17)11(16)15(3)8-9-6-4-5-7-18-9/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyMTPBLCIXMHVGTJ-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.79
Rot. Bonds4

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

3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide (PubChem CID 76921233) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide
PubChem CID76921233
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide
SMILESCN(CC1CCCCO1)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H23N3O3/c1-12(2,10(13)14-17)11(16)15(3)8-9-6-4-5-7-18-9/h9,17H,4-8H2,1-3H3,(H2,13,14)
InChIKeyMTPBLCIXMHVGTJ-UHFFFAOYSA-N
XLogP0.79
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.79
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

2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
CID 113270028
2-amino-N,2-dimethyl-N-(oxan-2-ylmethyl)pentanamide;hydrochloride
CID 119746358
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropanamide
CID 83031069
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76919558
N-methyl-N-(oxan-2-ylmethyl)prop-2-enamide
CID 61435743
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide (CID 76921233) is 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide is CN(CC1CCCCO1)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide?
The InChIKey is MTPBLCIXMHVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,10(13)14-17)11(16)15(3)8-9-6-4-5-7-18-9/h9,17H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide?
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide has a molecular weight of 257.33 g/mol, XLogP of 0.79, 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,2,2-trimethyl-N-(oxan-2-ylmethyl)propanamide is sourced from PubChem (CID 76921233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).