(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide

C9H19N3O2 — CID 43274028

IUPAC(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide
SMILESCCN(CC(C)C)C(=O)C/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-4-12(6-7(2)3)9(13)5-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyVDNXOJKVEYYFOL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.63
Rot. Bonds5

About (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide

(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide (PubChem CID 43274028) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide
PubChem CID43274028
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide
SMILESCCN(CC(C)C)C(=O)C/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-4-12(6-7(2)3)9(13)5-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyVDNXOJKVEYYFOL-UHFFFAOYSA-N
XLogP0.63
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.63
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-(2-methylpropyl)propanamide?
The IUPAC name of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide (CID 43274028) is (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide?
The canonical SMILES for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide is CCN(CC(C)C)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide?
The InChIKey is VDNXOJKVEYYFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(6-7(2)3)9(13)5-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide?
(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-(2-methylpropyl)propanamide has a molecular weight of 201.27 g/mol, XLogP of 0.63, 5 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 43274028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).