N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C14H25F3N2O2 — CID 103840019

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(21,9-19(2)3)8-18-12(20)10-6-4-5-7-11(10)14(15,16)17/h10-11,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyNCWOVJVOMRPYAB-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.78
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 103840019) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID103840019
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(C)CC(C)(O)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3N2O2/c1-13(21,9-19(2)3)8-18-12(20)10-6-4-5-7-11(10)14(15,16)17/h10-11,21H,4-9H2,1-3H3,(H,18,20)
InChIKeyNCWOVJVOMRPYAB-UHFFFAOYSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 103840019) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(C)CC(C)(O)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is NCWOVJVOMRPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(21,9-19(2)3)8-18-12(20)10-6-4-5-7-11(10)14(15,16)17/h10-11,21H,4-9H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103840019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).