N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide

C8H16N2O2 — CID 156522388

IUPACN-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide
SMILESCC(C)C(=O)N/C(=N/O)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)7(10-12)9-8(11)6(3)4/h5-6,12H,1-4H3,(H,9,10,11)
InChIKeyNXSMMEYNPUWGRZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.20
Rot. Bonds2

About N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide

N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide (PubChem CID 156522388) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide
PubChem CID156522388
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide
SMILESCC(C)C(=O)N/C(=N/O)C(C)C
InChIInChI=1S/C8H16N2O2/c1-5(2)7(10-12)9-8(11)6(3)4/h5-6,12H,1-4H3,(H,9,10,11)
InChIKeyNXSMMEYNPUWGRZ-UHFFFAOYSA-N
XLogP1.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
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

ethane;N-[(E)-C-ethyl-N-methoxycarbonimidoyl]-2-methylpropanamide
CID 143223997
N-[(E)-N-methoxy-C-methylcarbonimidoyl]propanamide
CID 146416706
2,2-dimethyl-N-(2-methylpropanimidoyl)propanamide
CID 147835006
2-methyl-N-(2-methylpropanimidoyl)propanamide
CID 154038986
N-(2-methylpropanimidoyl)propanamide
CID 173555264
N-(N-hydroxy-C-propylcarbonimidoyl)butanamide
CID 176290308
N-(N-methoxy-C-methylcarbonimidoyl)propanamide
CID 178600701
N-[N-(cyclopropylmethoxy)-C-methylcarbonimidoyl]propanamide
CID 178600703
N-(N-hydroxy-C-methylcarbonimidoyl)propanamide
CID 178600705
N-(N-hydroxy-C-methylcarbonimidoyl)-3-methylbutanamide
CID 178600714
(3Z)-3-amino-N-tert-butyl-3-hydroxyimino-2-methylpropanamide
CID 61859719
3-amino-3-hydroxyimino-2-methyl-N-(2-methylbutan-2-yl)propanamide
CID 76925867

Frequently Asked Questions

What is the IUPAC name of N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide?
The IUPAC name of N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide (CID 156522388) is N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide?
The canonical SMILES for N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide is CC(C)C(=O)N/C(=N/O)C(C)C.
What is the InChIKey of N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide?
The InChIKey is NXSMMEYNPUWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(2)7(10-12)9-8(11)6(3)4/h5-6,12H,1-4H3,(H,9,10,11).
What are the key properties of N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide?
N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide has a molecular weight of 172.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]-2-methylpropanamide is sourced from PubChem (CID 156522388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).