N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H23F3N2O2 — CID 65120329

IUPACN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-10-3-2-4-12(21,7-10)8-19-11(20)13(14(15,16)17)5-6-18-9-13/h10,18,21H,2-9H2,1H3,(H,19,20)
InChIKeyCLYXQYRWWXGMOB-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.59
Rot. Bonds3

About N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 65120329) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID65120329
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC1CCCC(O)(CNC(=O)C2(C(F)(F)F)CCNC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-10-3-2-4-12(21,7-10)8-19-11(20)13(14(15,16)17)5-6-18-9-13/h10,18,21H,2-9H2,1H3,(H,19,20)
InChIKeyCLYXQYRWWXGMOB-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 65120329) is N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC1CCCC(O)(CNC(=O)C2(C(F)(F)F)CCNC2)C1.
What is the InChIKey of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CLYXQYRWWXGMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-10-3-2-4-12(21,7-10)8-19-11(20)13(14(15,16)17)5-6-18-9-13/h10,18,21H,2-9H2,1H3,(H,19,20).
What are the key properties of N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 65120329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).