N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide

C8H17N3O2 — CID 104873717

IUPACN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide
SMILESCCC(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-4-6(12)10-5-8(2,3)7(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyILFHZDJXBIEATA-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.29
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide (PubChem CID 104873717) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide
PubChem CID104873717
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide
SMILESCCC(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C8H17N3O2/c1-4-6(12)10-5-8(2,3)7(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12)
InChIKeyILFHZDJXBIEATA-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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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide (CID 104873717) is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide is CCC(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide?
The InChIKey is ILFHZDJXBIEATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-4-6(12)10-5-8(2,3)7(9)11-13/h13H,4-5H2,1-3H3,(H2,9,11)(H,10,12).
What are the key properties of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide?
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide 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 N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)propanamide is sourced from PubChem (CID 104873717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).