N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide

C14H23F2NO2 — CID 102866148

IUPACN-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCC(F)(F)CC1)N(CCCO)C1CCC1
InChIInChI=1S/C14H23F2NO2/c15-14(16)7-5-11(6-8-14)13(19)17(9-2-10-18)12-3-1-4-12/h11-12,18H,1-10H2
InChIKeyCUOIBMXXUWBCPX-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.58
Rot. Bonds5

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

N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (PubChem CID 102866148) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
PubChem CID102866148
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC NameN-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
SMILESO=C(C1CCC(F)(F)CC1)N(CCCO)C1CCC1
InChIInChI=1S/C14H23F2NO2/c15-14(16)7-5-11(6-8-14)13(19)17(9-2-10-18)12-3-1-4-12/h11-12,18H,1-10H2
InChIKeyCUOIBMXXUWBCPX-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide (CID 102866148) is N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is O=C(C1CCC(F)(F)CC1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
The InChIKey is CUOIBMXXUWBCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c15-14(16)7-5-11(6-8-14)13(19)17(9-2-10-18)12-3-1-4-12/h11-12,18H,1-10H2.
What are the key properties of N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide?
N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102866148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).