N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide

C12H25N3O2 — CID 54987979

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-15(8-9(2)11(13)14-17)10(16)7-12(3,4)5/h9,17H,6-8H2,1-5H3,(H2,13,14)
InChIKeyJWUDPMFCCJBKIB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.65
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide (PubChem CID 54987979) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide
PubChem CID54987979
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-15(8-9(2)11(13)14-17)10(16)7-12(3,4)5/h9,17H,6-8H2,1-5H3,(H2,13,14)
InChIKeyJWUDPMFCCJBKIB-UHFFFAOYSA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide (CID 54987979) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide is CCN(CC(C)/C(N)=N/O)C(=O)CC(C)(C)C.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is JWUDPMFCCJBKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-15(8-9(2)11(13)14-17)10(16)7-12(3,4)5/h9,17H,6-8H2,1-5H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 54987979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).