(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide

C8H17N3O2 — CID 43269063

IUPAC(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide
SMILESCCCN(CC)C(=O)C/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-3-5-11(4-2)8(12)6-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyCBRZZGJPYGVPQK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds5

About (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide

(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide (PubChem CID 43269063) 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-propylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide
PubChem CID43269063
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide
SMILESCCCN(CC)C(=O)C/C(N)=N/O
InChIInChI=1S/C8H17N3O2/c1-3-5-11(4-2)8(12)6-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyCBRZZGJPYGVPQK-UHFFFAOYSA-N
XLogP0.38
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-propylpropanamide?
The IUPAC name of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide (CID 43269063) is (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide is CCCN(CC)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide?
The InChIKey is CBRZZGJPYGVPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-5-11(4-2)8(12)6-7(9)10-13/h13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of (3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide?
(3Z)-3-amino-N-ethyl-3-hydroxyimino-N-propylpropanamide has a molecular weight of 187.24 g/mol, XLogP of 0.38, 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-propylpropanamide is sourced from PubChem (CID 43269063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).