N-butyl-N-(trifluoromethyl)undecanamide

C16H30F3NO — CID 138973262

IUPACN-butyl-N-(trifluoromethyl)undecanamide
SMILESCCCCCCCCCCC(=O)N(CCCC)C(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-3-5-7-8-9-10-11-12-13-15(21)20(14-6-4-2)16(17,18)19/h3-14H2,1-2H3
InChIKeyWSLKQRAXXYBEHM-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.67
Rot. Bonds12

About N-butyl-N-(trifluoromethyl)undecanamide

N-butyl-N-(trifluoromethyl)undecanamide (PubChem CID 138973262) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is N-butyl-N-(trifluoromethyl)undecanamide.

Molecular Properties

Compound NameN-butyl-N-(trifluoromethyl)undecanamide
PubChem CID138973262
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-butyl-N-(trifluoromethyl)undecanamide
SMILESCCCCCCCCCCC(=O)N(CCCC)C(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-3-5-7-8-9-10-11-12-13-15(21)20(14-6-4-2)16(17,18)19/h3-14H2,1-2H3
InChIKeyWSLKQRAXXYBEHM-UHFFFAOYSA-N
XLogP5.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-N-(trifluoromethyl)undecanamide 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,N-Diethyldodecanamide
CID 18783
N,N-Dibutyldodecanamide
CID 219313
Diethyl caprylamide
CID 70456
N,N-Diethyldecanamide
CID 304087
N,N-diethylnonanamide
CID 303119
N,N-dibutyldecanamide
CID 304086
Solapalmitine
CID 275969
N,N-Dipropyldecanamide
CID 90658
N,N-Diethyloctadecanamide
CID 575487
N,N-Dibutyloctanamide
CID 93627
Octanamide, N,N-dihexyl-
CID 533135
N,N-Diethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748487

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(trifluoromethyl)undecanamide?
The IUPAC name of N-butyl-N-(trifluoromethyl)undecanamide (CID 138973262) is N-butyl-N-(trifluoromethyl)undecanamide.
What is the SMILES notation for N-butyl-N-(trifluoromethyl)undecanamide?
The canonical SMILES for N-butyl-N-(trifluoromethyl)undecanamide is CCCCCCCCCCC(=O)N(CCCC)C(F)(F)F.
What is the InChIKey of N-butyl-N-(trifluoromethyl)undecanamide?
The InChIKey is WSLKQRAXXYBEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-3-5-7-8-9-10-11-12-13-15(21)20(14-6-4-2)16(17,18)19/h3-14H2,1-2H3.
What are the key properties of N-butyl-N-(trifluoromethyl)undecanamide?
N-butyl-N-(trifluoromethyl)undecanamide has a molecular weight of 309.42 g/mol, XLogP of 5.67, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(trifluoromethyl)undecanamide is sourced from PubChem (CID 138973262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).