3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide

C13H26N2O2 — CID 62777706

IUPAC3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
SMILESCCOCCNC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-2-17-10-9-15-13(16)8-5-11-3-6-12(14)7-4-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyLRKLINROHYMBEE-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide

3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide (PubChem CID 62777706) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
PubChem CID62777706
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide
SMILESCCOCCNC(=O)CCC1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-2-17-10-9-15-13(16)8-5-11-3-6-12(14)7-4-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyLRKLINROHYMBEE-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-cyclopentyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 60654438
N-[2-(cyclopropylmethoxy)ethyl]-3-piperidin-4-ylpropanamide
CID 113343484
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114
CID 43558561
CID 43558561
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
2-(4-aminocyclohexyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]acetamide
CID 114162833
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide?
The IUPAC name of 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide (CID 62777706) is 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide.
What is the SMILES notation for 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide?
The canonical SMILES for 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide is CCOCCNC(=O)CCC1CCC(N)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide?
The InChIKey is LRKLINROHYMBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-10-9-15-13(16)8-5-11-3-6-12(14)7-4-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide?
3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-N-(2-ethoxyethyl)propanamide is sourced from PubChem (CID 62777706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).