3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide

C12H23N3O2 — CID 54948178

IUPAC3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide
SMILESCCC1CCC(N(C)C(=O)CC(N)=NO)CC1
InChIInChI=1S/C12H23N3O2/c1-3-9-4-6-10(7-5-9)15(2)12(16)8-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeySAMXMMRFQCJHAR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide

3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide (PubChem CID 54948178) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide
PubChem CID54948178
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide
SMILESCCC1CCC(N(C)C(=O)CC(N)=NO)CC1
InChIInChI=1S/C12H23N3O2/c1-3-9-4-6-10(7-5-9)15(2)12(16)8-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeySAMXMMRFQCJHAR-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.55
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'}

Analyze 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide?
The IUPAC name of 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide (CID 54948178) is 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide?
The canonical SMILES for 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide is CCC1CCC(N(C)C(=O)CC(N)=NO)CC1.
What is the InChIKey of 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide?
The InChIKey is SAMXMMRFQCJHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9-4-6-10(7-5-9)15(2)12(16)8-11(13)14-17/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide?
3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylcyclohexyl)-3-hydroxyimino-N-methylpropanamide is sourced from PubChem (CID 54948178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).