N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C15H24F3NO2 — CID 102866576

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCC(C(F)(F)F)CC1)N(CCCO)C1CCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)12-7-5-11(6-8-12)14(21)19(9-2-10-20)13-3-1-4-13/h11-13,20H,1-10H2
InChIKeyLLUMXXVPQPDTND-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.12
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 102866576) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID102866576
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCC(C(F)(F)F)CC1)N(CCCO)C1CCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)12-7-5-11(6-8-12)14(21)19(9-2-10-20)13-3-1-4-13/h11-13,20H,1-10H2
InChIKeyLLUMXXVPQPDTND-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide 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 N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 102866576) is N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(C1CCC(C(F)(F)F)CC1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LLUMXXVPQPDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)12-7-5-11(6-8-12)14(21)19(9-2-10-20)13-3-1-4-13/h11-13,20H,1-10H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102866576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).