2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide

C11H20N2O2 — CID 123768972

IUPAC2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide
SMILESCCC1CCC(NC(=O)C(C)N)C(=O)C1
InChIInChI=1S/C11H20N2O2/c1-3-8-4-5-9(10(14)6-8)13-11(15)7(2)12/h7-9H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyZJPAXVYHMPZLFQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.60
Rot. Bonds3

About 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide

2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide (PubChem CID 123768972) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide
PubChem CID123768972
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide
SMILESCCC1CCC(NC(=O)C(C)N)C(=O)C1
InChIInChI=1S/C11H20N2O2/c1-3-8-4-5-9(10(14)6-8)13-11(15)7(2)12/h7-9H,3-6,12H2,1-2H3,(H,13,15)
InChIKeyZJPAXVYHMPZLFQ-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide 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 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide?
The IUPAC name of 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide (CID 123768972) is 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide?
The canonical SMILES for 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide is CCC1CCC(NC(=O)C(C)N)C(=O)C1.
What is the InChIKey of 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide?
The InChIKey is ZJPAXVYHMPZLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-8-4-5-9(10(14)6-8)13-11(15)7(2)12/h7-9H,3-6,12H2,1-2H3,(H,13,15).
What are the key properties of 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide?
2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide has a molecular weight of 212.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-2-oxocyclohexyl)propanamide is sourced from PubChem (CID 123768972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).