2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide

C13H23F3N2O — CID 64755259

IUPAC2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-9(2)12(19)18-8-7-17-11-5-3-10(4-6-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyRUFFPOFMRWCEPA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide

2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide (PubChem CID 64755259) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide
PubChem CID64755259
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide
SMILESCC(C)C(=O)NCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-9(2)12(19)18-8-7-17-11-5-3-10(4-6-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19)
InChIKeyRUFFPOFMRWCEPA-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]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

N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
2-methyl-N-[2-[(1-propan-2-ylazepan-4-yl)amino]ethyl]propanamide
CID 65072399
2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 67953222
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-2-methylpropanamide
CID 80693383
N-[2-[[2-(cyclopentylamino)acetyl]amino]ethyl]-2-methylpropanamide
CID 61248306
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753627
2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 60718312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide (CID 64755259) is 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide is CC(C)C(=O)NCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide?
The InChIKey is RUFFPOFMRWCEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-9(2)12(19)18-8-7-17-11-5-3-10(4-6-11)13(14,15)16/h9-11,17H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide is sourced from PubChem (CID 64755259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).