4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide

C12H21F3N2O — CID 60841900

IUPAC4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCNCCCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-8-2-3-11(18)17-10-6-4-9(5-7-10)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyYRWRUOUVWRPHNZ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.22
Rot. Bonds5

About 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide

4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 60841900) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID60841900
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCNCCCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-16-8-2-3-11(18)17-10-6-4-9(5-7-10)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyYRWRUOUVWRPHNZ-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide 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 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide (CID 60841900) is 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide is CNCCCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is YRWRUOUVWRPHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-16-8-2-3-11(18)17-10-6-4-9(5-7-10)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 266.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 60841900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).