3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide

C12H25N3O3 — CID 76921320

IUPAC3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCCC(C)N(CCOC)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H25N3O3/c1-6-9(2)15(7-8-18-5)11(16)12(3,4)10(13)14-17/h9,17H,6-8H2,1-5H3,(H2,13,14)
InChIKeyZOWNGOVITXLEOA-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.03
Rot. Bonds7

About 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide

3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide (PubChem CID 76921320) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
PubChem CID76921320
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
SMILESCCC(C)N(CCOC)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C12H25N3O3/c1-6-9(2)15(7-8-18-5)11(16)12(3,4)10(13)14-17/h9,17H,6-8H2,1-5H3,(H2,13,14)
InChIKeyZOWNGOVITXLEOA-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.03
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-butan-2-yl-N-(2-methoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62845655
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-3-methylbutanamide
CID 76924055
3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
CID 82948415
N-(1-cyclopropylethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)butanamide
CID 76921166
N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921371
2-bromo-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylpropanamide
CID 114328513
2-amino-N-butan-2-yl-N-(2-methoxyethyl)-3-methylpentanamide
CID 55000825
tert-butyl 4-[butan-2-yl(2-methoxyethyl)amino]-4-oxobutanoate
CID 106707257
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76919558
3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76919969
2-amino-N-butan-2-yl-5-methoxy-N-(2-methoxyethyl)pentanamide
CID 81088100
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 82948013

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide (CID 76921320) is 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide is CCC(C)N(CCOC)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is ZOWNGOVITXLEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-6-9(2)15(7-8-18-5)11(16)12(3,4)10(13)14-17/h9,17H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide?
3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 76921320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).