N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide

C8H16N2O3 — CID 18729408

IUPACN-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(C)C(=O)NO
InChIInChI=1S/C8H16N2O3/c1-5(2)8(12)10(4)6(3)7(11)9-13/h5-6,13H,1-4H3,(H,9,11)
InChIKeyVPBBORSUDRVKLG-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.01
Rot. Bonds3

About N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide

N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide (PubChem CID 18729408) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide
PubChem CID18729408
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(C)C(=O)NO
InChIInChI=1S/C8H16N2O3/c1-5(2)8(12)10(4)6(3)7(11)9-13/h5-6,13H,1-4H3,(H,9,11)
InChIKeyVPBBORSUDRVKLG-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide (CID 18729408) is N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C(C)C(=O)NO.
What is the InChIKey of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide?
The InChIKey is VPBBORSUDRVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)8(12)10(4)6(3)7(11)9-13/h5-6,13H,1-4H3,(H,9,11).
What are the key properties of N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide?
N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide has a molecular weight of 188.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxyamino)-1-oxopropan-2-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 18729408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).