N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H24F3NO2 — CID 102867087

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCCCC1C(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)13-8-2-1-7-12(13)14(21)19(9-4-10-20)11-5-3-6-11/h11-13,20H,1-10H2
InChIKeyOFDBTEFOYKSNJZ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.12
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 102867087) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID102867087
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCCCC1C(F)(F)F)N(CCCO)C1CCC1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)13-8-2-1-7-12(13)14(21)19(9-4-10-20)11-5-3-6-11/h11-13,20H,1-10H2
InChIKeyOFDBTEFOYKSNJZ-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

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 102867087) is N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(C1CCCCC1C(F)(F)F)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is OFDBTEFOYKSNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)13-8-2-1-7-12(13)14(21)19(9-4-10-20)11-5-3-6-11/h11-13,20H,1-10H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-(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)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102867087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).