(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide

C9H19N3O2 — CID 43269899

IUPAC(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide
SMILESCCCN(C(=O)C/C(N)=N/O)C(C)C
InChIInChI=1S/C9H19N3O2/c1-4-5-12(7(2)3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyBDJZTJQIVKTJTO-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide (PubChem CID 43269899) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide
PubChem CID43269899
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide
SMILESCCCN(C(=O)C/C(N)=N/O)C(C)C
InChIInChI=1S/C9H19N3O2/c1-4-5-12(7(2)3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyBDJZTJQIVKTJTO-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide (CID 43269899) is (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide is CCCN(C(=O)C/C(N)=N/O)C(C)C.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide?
The InChIKey is BDJZTJQIVKTJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-5-12(7(2)3)9(13)6-8(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-propylpropanamide is sourced from PubChem (CID 43269899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).