(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide

C8H17N3O2 — CID 43266128

IUPAC(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide
SMILESCCN(C(=O)C/C(N)=N/O)C(C)C
InChIInChI=1S/C8H17N3O2/c1-4-11(6(2)3)8(12)5-7(9)10-13/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyOUCRPHGWVOLTKU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds4

About (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide

(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide (PubChem CID 43266128) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide
PubChem CID43266128
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide
SMILESCCN(C(=O)C/C(N)=N/O)C(C)C
InChIInChI=1S/C8H17N3O2/c1-4-11(6(2)3)8(12)5-7(9)10-13/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyOUCRPHGWVOLTKU-UHFFFAOYSA-N
XLogP0.38
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.38
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 (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide?
The IUPAC name of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide (CID 43266128) is (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide is CCN(C(=O)C/C(N)=N/O)C(C)C.
What is the InChIKey of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide?
The InChIKey is OUCRPHGWVOLTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-4-11(6(2)3)8(12)5-7(9)10-13/h6,13H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide?
(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propan-2-ylpropanamide is sourced from PubChem (CID 43266128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).