3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide

C8H17N3O2 — CID 76920014

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-4-5-10-7(12)8(2,3)6(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyAGKMWGWTANBEEK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.29
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide (PubChem CID 76920014) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
PubChem CID76920014
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-4-5-10-7(12)8(2,3)6(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyAGKMWGWTANBEEK-UHFFFAOYSA-N
XLogP0.29
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-propoxypropyl)propanamide
CID 82944389
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
CID 104866162
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947361
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 114167670
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 106326717
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756969
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
(3Z)-3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63241744

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide (CID 76920014) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide is CCCNC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
The InChIKey is AGKMWGWTANBEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-4-5-10-7(12)8(2,3)6(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 76920014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).