2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H22F3N3O2 — CID 71980801

IUPAC2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCC(C)C1NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H22F3N3O2/c1-8-4-3-5-9(2)11(8)19-12(21)17-6-10(20)18-7-13(14,15)16/h8-9,11H,3-7H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyQALSSZJCBCYEMM-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.79
Rot. Bonds4

About 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71980801) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71980801
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCC(C)C1NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H22F3N3O2/c1-8-4-3-5-9(2)11(8)19-12(21)17-6-10(20)18-7-13(14,15)16/h8-9,11H,3-7H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyQALSSZJCBCYEMM-UHFFFAOYSA-N
XLogP1.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 71980801) is 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCCC(C)C1NC(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QALSSZJCBCYEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-8-4-3-5-9(2)11(8)19-12(21)17-6-10(20)18-7-13(14,15)16/h8-9,11H,3-7H2,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71980801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).